SCHEMBL3099659

SCHEMBL3099659

COc1ccc(CC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
HPGD P15428 1/20 0.64
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
MAPT P10636 2/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
CNR2 P34972 1/20 0.58
KCNH2 Q12809 1/20 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

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
SCHEMBL3099974 1.00 NPC1 (0.68) NPC1RAB9AL3MBTL1HPGDLMNA
SCHEMBL457954 0.91 NPC1 (0.73) NPC1RAB9AHPGDLMNAHTT
SCHEMBL1753283 0.86 RAB9A (0.85) NPC1RAB9AL3MBTL1HPGDLMNA
SCHEMBL4096780 0.85 NPC1 (0.71) NPC1RAB9AL3MBTL1HPGDLMNA
SCHEMBL656856 0.85 NPC1 (0.71) NPC1RAB9AL3MBTL1HPGDLMNA
SCHEMBL1420182 0.85 NPC1 (0.65) NPC1RAB9AHPGDLMNAHTT
SCHEMBL3097303 0.85 NPC1 (0.65) NPC1RAB9AL3MBTL1LMNAHTT
SCHEMBL12637609 0.85 NPC1 (0.65) NPC1RAB9AHPGDLMNAHTT
SCHEMBL3099733 0.85 NPC1 (0.65) NPC1RAB9AL3MBTL1LMNAHTT
SCHEMBL6225326 0.85 NPC1 (0.65) NPC1RAB9AHPGDLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
US-5478856-A Styrene derivatives and salts thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 US disclosed
US-5403852-A Antiinflammatory agents LABORATOIRE ROGER BELLON (FR) 1995-04-04 US disclosed
EP-0623603-A1 STYRENE DERIVATIVE AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
US-4263311-A ANTIARTHRITIC AGENTS SMITHKLINE CORPORATION (US) 1981-04-21 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 NPC1 1768/4885RAB9A 2013/4885L3MBTL1 4819/4885

“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.