SCHEMBL440846

SCHEMBL440846

CC(C)(C)C(O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CETP P11597 1/20 0.32

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
SCHEMBL12219513 1.00 TSHR (0.33) TSHRCETP
SCHEMBL12219511 1.00 TSHR (0.33) TSHRCETP
SCHEMBL31011051 0.79 CETP (0.32) CETP
SCHEMBL574569 0.79 CETP (0.32) CETP
SCHEMBL14663990 0.79 TSHR (0.33) TSHR
Methyl Alcohol SCHEMBL27427612 0.77 CETP (0.35) CETP
SCHEMBL2852867 0.76 CETP (0.39) CETP
SCHEMBL2262667 0.76 CETP (0.39) CETP
SCHEMBL199 0.76 CETP (0.39) CETP
SCHEMBL2164167 0.76 TSHR (0.41) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536493-A Simple method for preparing 3, 3-trifluoromethyl-2, 2-dimethylpropanol 海门瑞一医药科技有限公司 2022-12-30 CN claimed
WO-1996035680-A1 SULPHONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES WITH ARYLOXY OR ARYLTHIO SUBSTITUENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-11-14 WO claimed
EP-3802500-B1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2026-05-27 EP disclosed
US-12479828-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2025-11-25 US disclosed
EP-4618974-A1 OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2025-09-24 EP disclosed
US-20240300920-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2024-09-12 US disclosed
WO-2024107615-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-23 WO disclosed
US-20240109866-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2024-04-04 US disclosed
US-11673892-B2 Bicyclic compounds for use as RIP1 kinase inhibitors GENENTECH, INC. (US) 2023-06-13 US disclosed
US-20230054854-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-02-23 US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 US disclosed
US-7160875-B2 Malonamide derivatives HOFFMANN-LA RACHE INC. (US) 2007-01-09 US disclosed
US-7160875-B2 Malonamide derivatives HOFFMANN-LA RACHE INC. (US) 2007-01-09 US disclosed
WO-2005023772-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US disclosed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP disclosed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 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 (9 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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TSHR 102/4885CETP 2850/4885
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS TSHR 1650/4885CETP 2491/4885
US-20240109866-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R TSHR 102/4885CETP 2850/4885
US-20080113966-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR TSHR 474/4885CETP 911/4885
US-20240300920-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R TSHR 102/4885CETP 2850/4885
US-20230054854-A1 COMBINATIONS WEE2, WEE1, BCL2 TSHR 3944/4885CETP 4280/4885
US-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 TSHR 1088/4885CETP 1739/4885
US-12479828-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TSHR 102/4885CETP 2850/4885
US-11673892-B2 Bicyclic compounds for use as RIP1 kinase inhibitors RIPK1, RIPK2, RIPK3 TSHR 3150/4885CETP 4139/4885

“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.