SCHEMBL13087451

SCHEMBL13087451

O=Cc1cc(-c2ccc(F)cc2)c(-c2ccccc2)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPK14 Q16539 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2A6 P11509 1/20 0.38
GRM2 Q14416 1/20 0.37
MAPT P10636 3/20 0.36
PTGS1 P23219 2/20 0.36
RAB9A P51151 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
USP1 O94782 1/20 0.35
USP19 O94966 1/20 0.35
UCHL3 P15374 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PTGS2 P35354 2/20 0.35

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
SCHEMBL28125334 0.72 KDM4E (0.46) KDM4EALDH1A1LMNAMAPK14MEN1
SCHEMBL28125342 0.72 KDM4E (0.46) KDM4EALDH1A1LMNAMAPK14MEN1
SCHEMBL3064394 0.71 CYP2A6 (0.43) KDM4EALDH1A1MEN1KMT2ACYP2A6
SCHEMBL14395256 0.71 CYP2A6 (0.43) KDM4EALDH1A1MEN1KMT2ACYP2A6
SCHEMBL22543048 0.70 RXRA (0.50) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL18003143 0.68 PGR (0.57) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL27649740 0.67 PTGS2 (0.57) ALDH1A1MAPK14CYP2A6PTGS1PTGS2
SCHEMBL1646479 0.66 MAPT (0.42) LMNAMEN1KMT2AMAPTPTGS1
SCHEMBL11252752 0.66 ERN1 (0.41) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL29212983 0.66 MAPK14 (0.50) KDM4EALDH1A1MAPK14MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 KDM4E 3917/4885ALDH1A1 1360/4885LMNA 101/4885

“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.