SCHEMBL3099798

SCHEMBL3099798

COc1ccc(C(=O)Cc2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
HTT P42858 3/20 0.63
LMNA P02545 1/20 0.63
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 3/20 0.57
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
GSK3B P49841 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL6201733 1.00 NPC1 (0.63) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL457954 0.91 NPC1 (0.73) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL6201900 0.86 RAB9A (0.59) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL1304164 0.85 NPC1 (0.71) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL1420182 0.85 NPC1 (0.65) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL12637609 0.85 NPC1 (0.65) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL3097303 0.85 NPC1 (0.65) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL6225326 0.85 NPC1 (0.65) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL3099733 0.85 NPC1 (0.65) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL7160001 0.83 MEN1 (0.68) NPC1HTTLMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994121-A 3- (2-Trifluoromethyl-3-aryl-4H-chromen-4-yl) -1H-indole derivative, preparation method and application 大连理工大学 2024-11-22 CN disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
EP-1705169-A2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators Hormos Medical Ltd. (FI) 2006-09-27 EP disclosed
EP-1235776-B1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS HORMOS MEDICAL CORP (FI) 2006-02-08 EP disclosed
US-6875775-B2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD (FI) 2005-04-05 US disclosed
EP-1206474-B1 SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS ABBOTT LAB (US) 2004-05-26 EP disclosed
US-20030225130-A1 Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD. 2003-12-04 US disclosed
US-6576645-B1 Such as 3-(4-chloro-1-(4-(2-(2-hydroxyethoxy)ethoxy)phenyl)--2-phenylbut-1 -enyl)phenol; producing tissue specific estro-genic and/or antiestrogenic effect HORMOS MEDICAL OY LTD (FI) 2003-06-10 US disclosed
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP disclosed
US-6472416-B1 Sulfonylphenylpyrazole compounds useful as COX-2 inhibitors ABBOTT LABORATORIES 2002-10-29 US disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 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-20030225130-A1 Triphenylalkene derivatives and their use as selective estrogen receptor modulators ESR2, ESR1, GPER1 NPC1 1166/4885HTT 2707/4885LMNA 4585/4885
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 NPC1 1768/4885HTT 736/4885LMNA 3156/4885

“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.