SCHEMBL7597619

SCHEMBL7597619

CCCCCC(C)(C)NC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
TSHR P16473 2/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35
FDPS P14324 11/20 0.34
GGPS1 O95749 7/20 0.34
CES2 O00748 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
SCHEMBL21159161 0.97 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL29105396 0.97 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL11647534 0.97 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL9213856 0.97 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL9211309 0.97 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL29105392 0.97 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL27524945 0.97 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL20121741 0.97 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL8122880 0.92
Propylamine SCHEMBL11319219 0.87 DNM1 (0.42) EPHX1TSHRTHRBALDH1A1FDPS

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225195-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-07-13 US disclosed
EP-3222619-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2017-09-27 EP disclosed
EP-2496173-B1 DEVICE FOR THE DETECTION OF NON-CAVITATED EARLY DENTAL CARIES LESIONS THE RES FOUND OF STATE UNIV OF NEW YORK (US) 2017-09-13 EP disclosed
WO-2017044633-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. (US) 2017-03-16 WO disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
EP-1047688-B1 THIOPHENE NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS INC (US) 2002-11-20 EP disclosed
US-6376540-B1 PREVENT NEURODEGENERATIVE DISEASE CENTAUR PHARMACEUTICALS, INC. 2002-04-23 US disclosed
US-6271265-B1 N-TERT-BUTYL-2-HYDROXYBENZAMIDE FOR INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. 2001-08-07 US disclosed
EP-1077699-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP disclosed
EP-1047688-A1 THIOPHENE NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 2000-11-02 EP disclosed
EP-1005463-A1 FURANSULFONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 2000-06-07 EP disclosed
US-6051571-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-6040444-A Process for preparing furan nitrone compounds CENTAUR PHARMACEUTICALS, INC. (US) 2000-03-21 US disclosed
US-6015831-A AUTOIMMUNE, NERVOUS SYSTEM, GASTROINTESTINAL, AND BRAIN DISORDERS; ANTIINFLAMMATORY AGENTS; ALZHEIMER*S DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2000-01-18 US disclosed
US-5994396-A Furansulfonic acid derivatives and pharmaceutical compositions containing the same CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-30 US disclosed
WO-1999059582-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed
US-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US disclosed
WO-1999036420-A1 THIOPHENE NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 1999-07-22 WO disclosed
WO-1999009022-A1 FURANSULFONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 1999-02-25 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 (2 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 EPHX1 2661/4885TSHR 4677/4885THRB 3575/4885
US-20230225195-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES H1-0, H1-2, H1-4 EPHX1 20/4885TSHR 4404/4885THRB 4509/4885

“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.