SCHEMBL3316409

SCHEMBL3316409

CC(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCS2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 1.00
RARG P13631 20/20 1.00
RARA P10276 18/20 1.00
RXRA P19793 9/20 0.87
KDM4E B2RXH2 1/20 0.70
NPC1 O15118 1/20 0.70
CYP26A1 O43174 1/20 0.70
GMNN O75496 1/20 0.70
USP2 O75604 1/20 0.70
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
POLB P06746 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
NFKB1 P19838 1/20 0.70
CYP2C19 P33261 1/20 0.70
THPO P40225 1/20 0.70
MTOR P42345 1/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3316404 1.00 RARB (1.00) RARBRARGRARARXRAKDM4E
SCHEMBL9145936 0.93 RARB (0.87) RARBRARGRARARXRAKDM4E
SCHEMBL9145943 0.93 RARB (0.87) RARBRARGRARARXRAKDM4E
SCHEMBL9007238 0.93 RARB (1.00) RARBRARGRARARXRAKDM4E
SCHEMBL9007232 0.93 RARB (1.00) RARBRARGRARARXRAKDM4E
SCHEMBL9147918 0.91 RARB (0.83) RARBRARGRARARXRAKDM4E
SCHEMBL9147910 0.91 RARB (0.83) RARBRARGRARARXRAKDM4E
SCHEMBL8460571 0.89 RARB (0.80) RARBRARGRARARXRAKDM4E
SCHEMBL8460567 0.89 RARB (0.80) RARBRARGRARARXRAKDM4E
SCHEMBL9143360 0.88 RARB (0.78) RARBRARGRARARXRAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2024-05-28 US disclosed
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-06-03 US disclosed
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 US disclosed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 US disclosed
US-20100105757-A1 TREATMENT AND INHIBITION OF DISEASE CONDITIONS USING FLEXIBLE HETEROAROTINOIDS BENBROOK DORIS M 2010-04-29 US disclosed
US-7612107-B2 Such as cancer, diabetes, hemophilia, liver disease, diseases involving human aldehyde dehydrogenase 2, polycystic kidney disease, lysosomal storage diseases, high cholesterol, obesity, high triglycerides, glycoprotein metabolism, and angiogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2009-11-03 US disclosed
US-20060281806-A1 Treatment and inhibition of disease conditions using flexible heteroarotinoids BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA, THE 2006-12-14 US disclosed
US-20060252817-A1 Treatment and inhibition of disease conditions using flexible heteroarotinoids BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA, THE 2006-11-09 US disclosed
US-6586460-B1 Administering heterocyclic ethers or sulfides to induce apoptosis, cell differentiation and as anticarcinogenic agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2003-07-01 US disclosed
EP-0907646-B1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2003-05-21 EP disclosed
US-6110960-A FOR TREATING ARTHRITIS AND AS ANALGESIC THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
EP-0907646-A1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-04-14 EP disclosed
WO-1998007716-A2 HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 1998-02-26 WO disclosed
WO-1997046548-A1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-12-11 WO disclosed
US-4826984-A Heteroarotinoid compounds as anticancer agents THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGE ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1989-05-02 US disclosed
US-4808597-A Method for inhibiting the degradation of cartilage PFIZER INC. (US) 1989-02-28 US disclosed
EP-0130795-B1 CARBOXYLIC ACID DERIVATIVES USEFUL FOR INHIBITING THE DEGRADATION OF CARTILAGE PFIZER INC. (US) 1988-11-23 EP disclosed
EP-0155940-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-10-02 EP disclosed
WO-1985000806-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-02-28 WO disclosed
EP-0130795-A2 Carboxylic acid derivatives useful for inhibiting the degradation of cartilage PFIZER INC. (US) 1985-01-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT RARB 2247/4885RARG 1949/4885RARA 2801/4885
US-20100105757-A1 TREATMENT AND INHIBITION OF DISEASE CONDITIONS USING FLEXIBLE HETEROAROTINOIDS HSD17B4, HSD17B14, MAN2B1 RARB 2862/4885RARG 2520/4885RARA 3000/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT RARB 2247/4885RARG 1949/4885RARA 2801/4885
US-20060281806-A1 Treatment and inhibition of disease conditions using flexible heteroarotinoids HSD17B4, HSD17B14, MAN2B1 RARB 2862/4885RARG 2520/4885RARA 3000/4885
US-20060252817-A1 Treatment and inhibition of disease conditions using flexible heteroarotinoids HSD17B14, HSD17B4, PNLIP RARB 2002/4885RARG 1628/4885RARA 2067/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 RARB 1844/4885RARG 1801/4885RARA 2359/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT RARB 2247/4885RARG 1949/4885RARA 2801/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.