SCHEMBL698983

SCHEMBL698983

Cc1ccc(C)c(CCO)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.63
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TNF P01375 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
AMY1A P0DUB6 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TRPA1 O75762 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL38658478 1.00 TAAR1 (0.63) TAAR1NPC1RAB9ATNFTSHR
Cyanide SCHEMBL28046781 0.94 TAAR1 (0.57) TAAR1NPC1RAB9ATNFTSHR
SCHEMBL38650825 0.87 TAAR1 (0.59) TAAR1NPC1RAB9ATNFTSHR
SCHEMBL79895 0.87 TAAR1 (0.59) TAAR1NPC1RAB9ATNFTSHR
SCHEMBL9491792 0.85 TAAR1 (0.74) TAAR1NPC1RAB9APOLBAMY1A
SCHEMBL38652213 0.85 TAAR1 (0.57) TAAR1NPC1RAB9ATNFTSHR
SCHEMBL12952724 0.85 TAAR1 (0.57) TAAR1NPC1RAB9ATNFTSHR
SCHEMBL11237534 0.84 TAAR1 (0.55) TAAR1NPC1RAB9ATNFTSHR
SCHEMBL30585189 0.82 TP53 (0.44) TAAR1NPC1RAB9ATNFTDP1
SCHEMBL30585190 0.82 TP53 (0.44) TAAR1NPC1RAB9ATNFTDP1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3955881-B1 DENTAL COMPOSITION DENTSPLY SIRONA INC (US) 2024-04-24 EP disclosed
EP-2496556-B1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-12-26 EP disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-9018383-B2 Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-04-28 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-03-27 US disclosed
US-8618304-B2 Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-12-31 US disclosed
CN-101981506-B Process for producing lithographic printing plate FUJI PHOTO FILM CO LTD 2013-02-06 CN disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0513577-B1 Method for the preparation of 1-alkoxyisochromans BASF AG (DE) 1995-01-18 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0513577-A1 Method for the preparation of 1-alkoxyisochromans BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 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 (3 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-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TAAR1 2959/4885NPC1 56/4885RAB9A 1355/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TAAR1 2959/4885NPC1 56/4885RAB9A 1355/4885
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 TAAR1 2170/4885NPC1 2159/4885RAB9A 1514/4885

“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.