SCHEMBL9300831

SCHEMBL9300831

COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.69
RARG P13631 12/20 0.69
RARA P10276 9/20 0.69
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
NR1I2 O75469 1/20 0.69
LMNA P02545 1/20 0.69
PGR P06401 1/20 0.69
HSPD1 P10809 1/20 0.69
GOT1 P17174 1/20 0.69
GLRA1 P23415 1/20 0.69
BLM P54132 1/20 0.69
HSPE1 P61604 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61

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
SCHEMBL7902117 0.85 RARG (0.69) RARBRARGRARAKMT2AMEN1
SCHEMBL9331667 0.85 RARB (0.56) RARBRARGRARAKMT2AMEN1
SCHEMBL9622135 0.83 RARB (0.61) RARBRARGRARAKMT2AMEN1
SCHEMBL10675397 0.82 RARB (0.53) RARBRARGRARAKMT2AMEN1
SCHEMBL3322256 0.82 KMT2A (0.48) RARBRARGRARAKMT2AMEN1
Adapalene SCHEMBL29357372 0.82 RARB (1.00) RARBRARGRARAKMT2AMEN1
Adapalene SCHEMBL29393098 0.82 RARB (1.00) RARBRARGRARAKMT2AMEN1
Adapalene SCHEMBL2747 0.82 RARB (1.00) RARBRARGRARAKMT2AMEN1
Adapalene SCHEMBL4302240 0.82 RARB (1.00) RARBRARGRARAKMT2AMEN1
Adapalene SCHEMBL29688458 0.82 RARB (1.00) RARBRARGRARAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616011-B2 Personal care compositions THE PROCTER & GAMBLE COMPANY (US) 2017-04-11 US disclosed
US-20160081902-A1 PERSONAL CARE COMPOSITIONS OSBORNE ROSEMARIE (US) 2016-03-24 US disclosed
US-5292512-A Cosmetic or pharmaceutical composition containing microspheres of polymers or of fatty substances filled with at least one active product CENTRE INTERNATIONALE DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1994-03-08 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-20160081902-A1 PERSONAL CARE COMPOSITIONS KRT18, CUTA, TTR RARB 870/4885RARG 674/4885RARA 720/4885

“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.