SCHEMBL487168

SCHEMBL487168

COc1ccc2cc(C(C)C)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.65
AKR1C3 P42330 6/20 0.62
AKR1C2 P52895 6/20 0.62
PTGS2 P35354 3/20 0.62
PTGS1 P23219 3/20 0.62
CYP1A2 P05177 2/20 0.62
TSHR P16473 2/20 0.62
CDC42 P60953 1/20 0.62
RAC1 P63000 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
CYP2A6 P11509 1/20 0.61
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALOX5 P09917 2/20 0.54
AKR1C1 Q04828 1/20 0.53

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
SCHEMBL30640494 1.00 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL29365195 1.00 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL15701616 0.98 ABCB11 (0.62) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30986302 0.88 ABCB11 (0.57) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL20398797 0.87 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL23255697 0.83 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL23255694 0.83 ABCB11 (0.61) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL7955027 0.83 ABCB11 (0.61) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL23255698 0.83 ABCB11 (0.61) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9120097 0.83 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286902-A Process for preparation of 2-(6-methoxy-2-naphthyl)propionic acid and intermediates therefor utilizing 2,6-diisopropylnaphthalene KOCH INDUSTRIES, INC. (US) 1994-02-15 US claimed
WO-2024062319-A1 POLYMERS WITH DUAL THERAPEUTIC AGENTS Sony Group Corporation (JP) 2024-03-28 WO disclosed
US-11845715-B2 2023-12-19 US disclosed
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
WO-2023209722-A1 COMPOSITION FOR USE IN THE TREATMENT OF A DISEASE RAMBAM MED-TECH LTD. (IL) 2023-11-02 WO disclosed
WO-2023001045-A9 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-10-26 WO disclosed
US-20230304002-A1 TRANSTHYRETIN (TTR) iRNA COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATING OR PREVENTING TTR-ASSOCIATED OCULAR DISEASES BANK OF AMERICA, N.A. 2023-09-28 US disclosed
US-20230295622-A1 COMPOSITIONS AND METHODS FOR SILENCING MYOC EXPRESSION ALNYLAM PHARMACEUTICALS, INC. (US) 2023-09-21 US disclosed
EP-4238571-A1 APPLICATION OF THYMIDINE DERIVATIVE IN PREPARATION OF DRUGS OnQuality Pharmaceuticals China Ltd. (CN) 2023-09-06 EP disclosed
US-20230272382-A1 COMPLEMENT COMPONENT C3 iRNA COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATING OR PREVENTING COMPLEMENT COMPONENT C3-ASSOCIATED DISEASES BANK OF AMERICA, N.A. 2023-08-31 US disclosed
EP-1626065-A1 Resin composition, method of its composition, and cured formulation Nippon Shokubai Co., Ltd. (JP) 2006-02-15 EP disclosed
US-20060029811-A1 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2006-02-09 US disclosed
WO-2005085161-A1 METHOD FOR PRODUCING AROMATIC ALKOXY KETONES Rütgers Chemicals AG (DE) 2005-09-15 WO disclosed
EP-0961765-A2 PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES ALBEMARLE CORPORATION (US) 1999-12-08 EP disclosed
WO-1999032474-A1 BENZOFURANS AND BENZOPYRANS AS CYTOPROTECTIVE AGENTS ALCON LABORATORIES, INC. (US) 1999-07-01 WO disclosed
WO-1998030529-A2 PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES ALBEMARLE CORPORATION (US) 1998-07-16 WO disclosed
US-5286902-A Process for preparation of 2-(6-methoxy-2-naphthyl)propionic acid and intermediates therefor utilizing 2,6-diisopropylnaphthalene KOCH INDUSTRIES, INC. (US) 1994-02-15 US disclosed
EP-0386848-A1 Novel Exophiala species GIST-BROCADES N.V. (NL) 1990-09-12 EP disclosed
EP-0205215-B1 PROCESS FOR THE PREPARATION OF 2-ARYLPROPIONIC ACIDS GIST-BROCADES N.V. (NL) 1990-08-08 EP disclosed
EP-0205215-A2 Process for the preparation of 2-arylpropionic acids GIST-BROCADES N.V. (NL) 1986-12-17 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-11845715-B2 NLRP3, PYCARD, NOD1 ABCB11 1778/4885AKR1C3 2912/4885AKR1C2 2772/4885
US-20230295622-A1 COMPOSITIONS AND METHODS FOR SILENCING MYOC EXPRESSION MYOF, MYO3A, MYO3B ABCB11 4826/4885AKR1C3 4356/4885AKR1C2 3755/4885
US-20230304002-A1 TRANSTHYRETIN (TTR) iRNA COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATING OR PREVENTING TTR-ASSOCIATED OCULAR DISEASES TTR, MTPN, CRYAA ABCB11 3420/4885AKR1C3 2062/4885AKR1C2 1942/4885

“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.