SCHEMBL3690282

SCHEMBL3690282

Bc1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
RARA P10276 3/20 0.51
RARB P10826 3/20 0.51
RARG P13631 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
HSPD1 P10809 1/20 0.51
GOT1 P17174 1/20 0.51
GLRA1 P23415 1/20 0.51
BLM P54132 1/20 0.51
HSPE1 P61604 1/20 0.51
HDAC11 Q96DB2 2/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL641031 0.83 RARB (0.67) KMT2ARARARARBRARGLMNA
SCHEMBL10014917 0.82 RARA (0.52) KMT2ARARARARBRARGLMNA
SCHEMBL8426196 0.81 RARA (0.54) KMT2ARARARARBRARGLMNA
SCHEMBL3690279 0.81 KMT2A (0.51) KMT2ARARARARBRARGLMNA
SCHEMBL29535143 0.81 RARA (0.51) KMT2ARARARARBRARGLMNA
SCHEMBL8520331 0.81 RARA (0.51) KMT2ARARARARBRARGLMNA
SCHEMBL8424855 0.81 RARA (0.54) KMT2ARARARARBRARGLMNA
SCHEMBL3690283 0.81 KMT2A (0.51) KMT2ARARARARBRARGLMNA
SCHEMBL4748049 0.81 KMT2A (0.51) KMT2ARARARARBRARGLMNA
SCHEMBL178217 0.81 RARA (0.51) KMT2ARARARARBRARGLMNA

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-20100010265-A1 PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE COMELY ALEXANDER CHRISTIAN 2010-01-14 US disclosed
WO-2008126104-A2 NOVEL PROCESS FOR PREPARATION OF ADAPALENE INDOCO REMEDIES LIMITED (IN) 2008-10-23 WO disclosed
WO-2007028104-A2 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS, INC. (US) 2007-03-08 WO 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-20100010265-A1 PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE AMD1, CYP51A1, DDC KMT2A 4095/4885RARA 757/4885RARB 1157/4885

“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.