SCHEMBL2373503

SCHEMBL2373503

Cc1cc(C)cc(C)c1.OBO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 3/20 0.50
TPMT P51580 1/20 0.45
ACHE P22303 3/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
SELE P16581 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
C1S P09871 1/20 0.43
PRSS3 P35030 1/20 0.43
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAPGEF4 Q8WZA2 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL5424151 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTPMTACHESELL
Methyl Alcohol SCHEMBL28397318 0.82 ALDH1A1 (0.64) ALDH1A1TSHRTPMTACHESELL
Methyl Alcohol SCHEMBL27974355 0.82 ALDH1A1 (0.64) ALDH1A1TSHRTPMTACHESELL
SCHEMBL1061042 0.82 RXRA (0.41) ALDH1A1TSHRTPMTACHESELL
SCHEMBL26115 0.82
SCHEMBL341533 0.82 ALDH1A1 (0.67) ALDH1A1TSHRTPMTACHESELL
SCHEMBL4342018 0.80 ALDH1A1 (0.50) ALDH1A1TSHRACHECA2POLB
SCHEMBL7960339 0.79 ALDH1A1 (0.45) ALDH1A1TSHRTPMTACHESELL
M-Xylene SCHEMBL1961587 0.79 ACHE (0.75) ALDH1A1TSHRACHEGAAMAPT
Hydroxyamine SCHEMBL16975254 0.78 ALDH1A1 (0.64) ALDH1A1TSHRTPMTACHESELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112054128-B Heterocyclic compound and organic light-emitting device comprising same 三星显示有限公司 2024-06-18 CN disclosed
CN-116897168-A Bis-phenoxy-ether ligands for Group IV polyolefin catalysis 陶氏环球技术有限责任公司 2023-10-17 CN disclosed
CN-114127132-B Olefin polymerization catalyst with thiazole or imidazole 陶氏环球技术有限责任公司 2023-06-20 CN disclosed
US-9627632-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-04-18 US disclosed
US-8748826-B2 Radioimaging methods using teboroxime and thallium BIOSENSOR INTERNATIONAL GROUP, LTD. (BM) 2014-06-10 US disclosed
US-8610075-B2 Radioimaging applications of and novel formulations of teboroxime BIOSENSORS INTERNATIONAL GROUP LTD. (BM) 2013-12-17 US disclosed
US-8481946-B2 2013-07-09 US disclosed
EP-2550691-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2013-01-30 EP disclosed
US-20130009118-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-01-10 US disclosed
WO-2011116857-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-09-29 WO disclosed
US-20100140483-A1 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME Spectrum Dynamics Medical Limited (VG) 2010-06-10 US disclosed
WO-2008059489-A2 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME SPECTRUM DYNAMICS LLC (US) 2008-05-22 WO disclosed
US-20050118209-A1 Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 US disclosed
EP-0199260-B1 BORONIC ACID ADDUCTS OF TECHNETIUM-99M DIOXIME COMPLEXES E.R. Squibb & Sons, Inc. (US) 1989-12-06 EP disclosed
US-4705849-A Boronic acid adducts of technetium-99m dioxime complexes E. R. SQUIBB & SONS, INC. (US) 1987-11-10 US disclosed
EP-0199260-A2 Boronic acid adducts of technetium-99M dioxime complexes E.R. Squibb & Sons, Inc. (US) 1986-10-29 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-20100140483-A1 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME TNNI3, TNNT2, IDO1 ALDH1A1 3124/4885TSHR 254/4885TPMT 2522/4885
US-20130009118-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SOD1, L1CAM, EPCAM ALDH1A1 1742/4885TSHR 4754/4885TPMT 1609/4885
US-20050118209-A1 Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides CAT, LPO, GPX4 ALDH1A1 184/4885TSHR 2428/4885TPMT 4715/4885

“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.