SCHEMBL3030501

SCHEMBL3030501

CC(=O)C1=C(c2ccc(F)cc2)c2ccc(Cl)cc2OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 4/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
FABP5 Q01469 1/20 0.35
PTGES O14684 1/20 0.35
KCNH2 Q12809 1/20 0.34
SHMT1 P34896 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
HASPIN Q8TF76 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
MAPK14 Q16539 1/20 0.33
PTGS2 P35354 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL15062289 0.88 FABP4 (0.35) FABP4KDM4ESMN1; SMN2NPC1TP53
SCHEMBL3016984 0.85 CCNC (0.36) KDM4ESMN1; SMN2CCNCCDK8HASPIN
SCHEMBL3027436 0.82 NPC1 (0.43) FABP4KDM4ESMN1; SMN2NPC1TP53
SCHEMBL3032759 0.81 KMT2A (0.35) KDM4ESMN1; SMN2NPC1TP53RAB9A
SCHEMBL3027421 0.81 NPC1 (0.39) FABP4KDM4ESMN1; SMN2NPC1TP53
SCHEMBL14666694 0.81 BRD4 (0.33) KDM4ESMN1; SMN2TP53CCNCCDK8
SCHEMBL3024780 0.80 PTGS2 (0.34) KDM4ESMN1; SMN2NPC1TP53RAB9A
SCHEMBL12081705 0.80 NR3C2 (0.50) SMN1; SMN2NR3C1PGRNR3C2ALDH1A1
SCHEMBL3023821 0.80 PTGES (0.40) FABP4KDM4ESMN1; SMN2NPC1TP53
SCHEMBL3017342 0.79 KDM4E (0.39) KDM4ESMN1; SMN2NPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 EP disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 EP 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 (2 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R FABP4 790/4885KDM4E 1296/4885SMN1; SMN2 4664/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R FABP4 577/4885KDM4E 1217/4885SMN1; SMN2 4805/4885

“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.