SCHEMBL3024780

SCHEMBL3024780

C=C(OCC)C1=C(c2ccc(F)cc2)c2ccc(Cl)cc2OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
ALPG P10696 1/20 0.34
ELOVL6 Q9H5J4 2/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SHMT1 P34896 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL3030501 0.80 FABP4 (0.36) PTGS2ELOVL6SMN1; SMN2NPC1RAB9A
SCHEMBL3027421 0.78 NPC1 (0.39) PTGS2SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3027436 0.76 NPC1 (0.43) PTGS2SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL15062310 0.76 HRH1 (0.34) MAPTSMN1; SMN2NPC1RAB9AALOX15
SCHEMBL3023821 0.74 PTGES (0.40) PTGS2SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3017342 0.74 KDM4E (0.39) PTGS2PTGS1SMN1; SMN2NPC1RAB9A
SCHEMBL3018442 0.74 NPC1 (0.36) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL15062289 0.71 FABP4 (0.35) PTGS2ELOVL6SMN1; SMN2NPC1RAB9A
SCHEMBL3026259 0.71 KDM4E (0.35) PTGS2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL14666694 0.67 BRD4 (0.33) MAPTSMN1; SMN2TP53KDM4EALDH1A1

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 12 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

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 PTGS2 1372/4885PTGS1 1007/4885ALPG 3705/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R PTGS2 1072/4885PTGS1 898/4885ALPG 3645/4885

“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.