SCHEMBL2240683

SCHEMBL2240683

CC(=O)c1ccc2c(c1)C(C)(C)CCO2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.64
RARG P13631 7/20 0.64
RARA P10276 6/20 0.64
RXRA P19793 4/20 0.59
CYP26A1 O43174 1/20 0.56
CYP26B1 Q9NR63 1/20 0.56
KDM4E B2RXH2 2/20 0.54
HNF4A P41235 2/20 0.47
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
SSTR5 P35346 2/20 0.43
RXRB P28702 1/20 0.42
AKR1B1 P15121 1/20 0.41

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
SCHEMBL9144307 0.88 KDM4E (0.54) RARBRARGRARARXRACYP26A1
SCHEMBL2240304 0.88 RARB (0.76) RARBRARGRARARXRACYP26A1
SCHEMBL9133271 0.86 RARB (0.60) RARBRARGRARARXRACYP26A1
Hydrochloric Acid SCHEMBL9133279 0.86 RARB (0.74) RARBRARGRARARXRACYP26A1
SCHEMBL10693727 0.86 RARB (0.84) RARBRARGRARARXRACYP26A1
SCHEMBL10693731 0.86 RARB (0.84) RARBRARGRARARXRACYP26A1
SCHEMBL30353262 0.84 KDM4E (0.54) RARBRARGRARARXRACYP26A1
SCHEMBL10933609 0.84 RARB (0.57) RARBRARGRARARXRACYP26A1
SCHEMBL3547915 0.84 RARB (0.63) RARBRARGRARARXRACYP26A1
SCHEMBL9095816 0.83 RARG (0.75) RARBRARGRARARXRACYP26A1

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 81 patents — showing the first 20. 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
EP-2670744-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR Lupin Limited (IN) 2013-12-11 EP disclosed
US-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2013-11-21 US disclosed
WO-2012104782-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2012-08-09 WO disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
CN-1031230-A Has acetylene of active phenyl of class retina and assorted two cyclic groups replacement and preparation method thereof ALLERGEN INC (US) 1989-02-22 CN disclosed
US-4788213-A TREATING ACNE AND PSORIASIS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
EP-0130795-B1 CARBOXYLIC ACID DERIVATIVES USEFUL FOR INHIBITING THE DEGRADATION OF CARTILAGE PFIZER INC. (US) 1988-11-23 EP disclosed
EP-0290130-A1 Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity ALLERGAN, INC (US) 1988-11-09 EP disclosed
CN-88101424-A Substituted acetylenes with retinoid like activity and containing heteroaromatic and heterobicyclic groups and process for preparation thereof 1988-10-05 CN disclosed
EP-0284288-A1 Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP disclosed
US-4678793-A ACNE, PSORIASIS, ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1987-07-07 US 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 (5 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-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR CHRNA7, CHRNE, CHRNA5 RARB 1245/4885RARG 972/4885RARA 1083/4885
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-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.