SCHEMBL81147

SCHEMBL81147

OCCCc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
SIGMAR1 Q99720 4/20 0.59
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
CYP2A6 P11509 1/20 0.52
PKM P14618 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
MC4R P32245 1/20 0.46
MC5R P33032 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
SLC13A5 Q86YT5 1/20 0.45

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
SCHEMBL31265269 1.00 CYP1A2 (0.62) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL130490 0.94 CYP1A2 (0.61) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL12982444 0.92 HDAC1 (0.59) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL4486003 0.92 HDAC1 (0.59) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL133001 0.92 HDAC1 (0.59) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL129285 0.92 HDAC1 (0.59) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL9670577 0.91 CYP1A2 (0.50) CYP1A2SIGMAR1HDAC1HDAC8LTA4H
SCHEMBL2307677 0.88 CYP1A2 (0.54) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL2310861 0.88 CYP1A2 (0.54) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6
SCHEMBL79723 0.87 CYP1A2 (0.56) CYP1A2SIGMAR1HDAC1HDAC8CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US claimed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US claimed
US-20240240226-A1 FLUOROGENIC ASSAY FOR RAPID SCREENING OF BACTERIAL BETA-LACTAMASE ACTIVITY UNIV LELAND STANFORD JUNIOR (US) 2024-07-18 US disclosed
EP-3512602-B1 INHIBITORS OF HEAT SHOCK FACTORS (HSF) AND USES THEREOF HSF PHARMACEUTICALS (CH) 2024-03-27 EP disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
US-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARM INC (US) 2021-02-23 US disclosed
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 EP disclosed
US-10675364-B2 Rhodol fluorophores for near-infrared imaging THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-06-09 US disclosed
US-5422038-A Ferroelectric liquid crystal material with sufficient spontaneous polarization, high speed response capability, wide temperature range SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-06 US disclosed
CN-1102640-A Alpha, omega-diarylalkane derivatives, their preparation and their use in the treatment and prevention of circulatory and psychiatric disorders SANKYO CO (JP) 1995-05-17 CN disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed
WO-1995004735-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-02-16 WO disclosed
EP-0416946-B1 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-11-09 EP disclosed
EP-0600717-A1 Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis SANKYO COMPANY LIMITED (JP) 1994-06-08 EP disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed
EP-0372941-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-06-13 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 (6 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 CYP1A2 190/4885SIGMAR1 336/4885HDAC1 2548/4885
US-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 CYP1A2 1700/4885SIGMAR1 4036/4885HDAC1 310/4885
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 CYP1A2 4682/4885SIGMAR1 4136/4885HDAC1 240/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 CYP1A2 4682/4885SIGMAR1 4136/4885HDAC1 240/4885
US-20240240226-A1 FLUOROGENIC ASSAY FOR RAPID SCREENING OF BACTERIAL BETA-LACTAMASE ACTIVITY CDA, CMBL, CTSF CYP1A2 485/4885SIGMAR1 3002/4885HDAC1 4042/4885
US-10675364-B2 Rhodol fluorophores for near-infrared imaging ALDH1A2, DNER, DBNL CYP1A2 1045/4885SIGMAR1 3202/4885HDAC1 1217/4885

“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.