SCHEMBL21750809

SCHEMBL21750809

CC1(C)CCOc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.47
RARB P10826 4/20 0.47
RARG P13631 4/20 0.47
HNF4A P41235 1/20 0.44
AKR1B1 P15121 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
CYP26A1 O43174 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
RXRA P19793 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL16178941 0.84 AKR1B1 (0.45) RARARARBRARGAKR1B1MEN1
SCHEMBL15541888 0.83 RAB9A (0.41) AKR1B1MEN1KMT2ACRHBPCRHR2
SCHEMBL21750779 0.81 MEN1 (0.68) MEN1KMT2ACRHBPCRHR2CYP26A1
SCHEMBL21750747 0.80 HSPA9 (0.63) MEN1KMT2ACRHBPCRHR2CYP26A1
SCHEMBL448167 0.76 TSHR (0.47) RARARARBRARGRXRARAB9A
SCHEMBL12211678 0.76 AKR1B1 (0.41) AKR1B1MEN1KMT2ACRHBPCRHR2
SCHEMBL21750776 0.75 AKR1B1 (0.62) AKR1B1MEN1KMT2ACRHBPCRHR2
SCHEMBL18211725 0.75 MAP3K14 (0.50) RARARARBRARGAKR1B1CYP26A1
SCHEMBL8293244 0.75 RARA (0.49) RARARARBRARGHNF4AAKR1B1
SCHEMBL8794542 0.74 AKR1B1 (0.52) AKR1B1MEN1KMT2ACRHBPCRHR2

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 4 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

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

For each of this compound's patents that has machine-readable text (4 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 RARA 2801/4885RARB 2247/4885RARG 1949/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT RARA 2801/4885RARB 2247/4885RARG 1949/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 RARA 2359/4885RARB 1844/4885RARG 1801/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT RARA 2801/4885RARB 2247/4885RARG 1949/4885

“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.