SCHEMBL6732835

SCHEMBL6732835

COC(=O)c1ccc2c(c1)OCC2(C)c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.52
RARB P10826 3/20 0.52
RARG P13631 3/20 0.52
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
PGR P06401 1/20 0.46
HSPD1 P10809 1/20 0.46
GOT1 P17174 1/20 0.46
GLRA1 P23415 1/20 0.46
BLM P54132 1/20 0.46
HSPE1 P61604 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC11 Q96DB2 2/20 0.42
HDAC2 Q92769 1/20 0.42
HIF1A Q16665 7/20 0.42
MDH1 P40925 2/20 0.42
MDH2 P40926 2/20 0.42
EPAS1 Q99814 2/20 0.42

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
SCHEMBL6729797 0.92 RARB (0.47) RARARARBRARGKMT2AMEN1
SCHEMBL6736410 0.91 RARA (0.62) RARARARBRARGKMT2AMEN1
SCHEMBL7771740 0.85 RARA (0.44) RARARARBRARGKMT2AMEN1
SCHEMBL7770213 0.84 RARA (0.47) RARARARBRARGKMT2AMEN1
SCHEMBL6734668 0.83 RARA (0.57) RARARARBRARGKMT2AMEN1
SCHEMBL7769595 0.81 RARA (0.42) RARARARBRARGKMT2AMEN1
SCHEMBL566278 0.81 RARA (0.62) RARARARBRARGKMT2AMEN1
SCHEMBL7770118 0.79 RARA (0.43) RARARARBRARGKMT2AMEN1
SCHEMBL6729936 0.78 CYP3A4 (0.49) RARARARBRARGKMT2AMEN1
SCHEMBL7769650 0.78 KMT2A (0.46) RARARARBRARGKMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof DIAZ PHILIPPE (FR) 2004-08-19 US claimed
EP-0823903-B1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CT INTERNAT DE RECH S (FR) 2001-07-18 EP claimed
US-5981776-A FOR USE IN HUMAN OR VETERINARY MEDICINE (DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL COMPLAINTS IN PARTICULAR), OR ALTERNATIVELY IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-09 US claimed
US-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof DIAZ PHILIPPE (FR) 2004-08-19 US disclosed
US-5981776-A FOR USE IN HUMAN OR VETERINARY MEDICINE (DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL COMPLAINTS IN PARTICULAR), OR ALTERNATIVELY IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-09 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 (1 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-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof TYR, MITF, CYP1B1 RARA 617/4885RARB 619/4885RARG 576/4885

“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.