SCHEMBL3453587

SCHEMBL3453587

Ic1ccc(C2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 15/20 0.46
POLB P06746 1/20 0.44
ESR1 P03372 6/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2D6 P10635 1/20 0.36
HTR2C P28335 1/20 0.35

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
SCHEMBL4050011 0.89 HDAC1 (0.45) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL25253951 0.89 ESR2 (0.47) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL13636373 0.88 ESR2 (0.63) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL14144592 0.88 ESR2 (0.39) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL128335 0.87 HTT (0.44) ESR2RAB9ASLC18A3
SCHEMBL19417392 0.87 HTT (0.44) ESR2RAB9ASLC18A3
SCHEMBL18466174 0.84 NPC1 (0.42) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL12462974 0.84 ESR2 (0.46) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL2884020 0.84 ESR2 (0.57) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL17642590 0.83 KCNH2 (0.41) ESR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346600-A1 TRICYCLIC DERIVATIVES AND RELATED USES MOMA THERAPEUTICS, INC. 2025-11-13 US disclosed
WO-2025054488-A1 TRICYCLIC DERIVATIVES AND RELATED USES MOMA THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 US disclosed
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
CN-118510783-A Spiro modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-08-16 CN disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
WO-2012135113-A2 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-04 WO disclosed
US-7820830-B2 Process for the production of carboxanilides SYNGENTA CROP PROTECTION, INC. (US) 2010-10-26 US disclosed
EP-1951677-B1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-09-02 EP disclosed
US-20080262242-A1 Process For the Production of Carboxanilides SYNGENTA CROP PROTECTION, INC. (US) 2008-10-23 US disclosed
EP-1951677-A1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES Syngeta Participations AG (CH) 2008-08-06 EP disclosed
WO-2007057140-A1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-05-24 WO disclosed
EP-1171113-A1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-01-16 EP disclosed
WO-2000062770-A1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-10-26 WO disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 EP disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 WO 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 (5 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-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 ESR2 1800/4885POLB 3239/4885ESR1 4815/4885
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ESR2 2494/4885POLB 3686/4885ESR1 3084/4885
US-20080262242-A1 Process For the Production of Carboxanilides FGFR2, FGFR4, CCKBR ESR2 1908/4885POLB 1564/4885ESR1 1688/4885
US-20250346600-A1 TRICYCLIC DERIVATIVES AND RELATED USES WRN, RECQL, BLM ESR2 2795/4885POLB 43/4885ESR1 3828/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ESR2 2494/4885POLB 3686/4885ESR1 3084/4885

“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.