SCHEMBL3050432

SCHEMBL3050432

CC(C)(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
GSK3B P49841 2/20 0.46
LMNA P02545 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
OGG1 O15527 1/20 0.45
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL10031827 0.87 PGR (0.47) CES2CES1CA2LMNAMAPK1
SCHEMBL11772991 0.86 CES2 (0.54) CES2CES1CA1CA2GSK3B
SCHEMBL725519 0.86 CES2 (0.54) CES2CES1CA1CA2GSK3B
SCHEMBL195600 0.84 CES2 (0.52) CES2CES1CA1CA2GSK3B
SCHEMBL4656447 0.82 CES2 (0.62) CES2CES1CA1CA2GSK3B
SCHEMBL10587459 0.81 PGR (0.41) CES2CES1CA2LMNARAB9A
SCHEMBL8861338 0.80 CES2 (0.48) CES2CES1CA1CA2GSK3B
SCHEMBL2913274 0.80 CES2 (0.48) CES2CES1CA1CA2GSK3B
SCHEMBL5058744 0.80 PGR (0.43) CES2CES1CA2LMNAMAPK1
SCHEMBL10483771 0.80 ELANE (0.54) LMNARAB9AMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
US-20220109116-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-04-07 US disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
WO-2020127176-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
EP-3247766-B1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2018-09-26 EP disclosed
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators WYETH (US) 2008-05-22 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-7319152-B2 Contraception, hormone replacement therapy, cycle-related symptoms, or benign or malignant neoplastic disease; -methyl-5-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrrole-2-carbonitrile WYETH (US) 2008-01-15 US disclosed
US-20070066628-A1 5-Aryl-indan-1-ol and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 US disclosed
US-20070066637-A1 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 US disclosed
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 US disclosed
EP-0729460-B1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AG (DE) 2002-05-15 EP disclosed
US-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 US disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
US-4609668-A AGRICULTURE SANDOZ LTD. (CH) 1986-09-02 US 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 (8 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 CES2 3614/4885CES1 1784/4885CA1 4391/4885
US-20070066628-A1 5-Aryl-indan-1-ol and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR CES2 1933/4885CES1 700/4885CA1 4585/4885
US-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC CES2 3456/4885CES1 4850/4885CA1 2631/4885
US-20220109116-A1 MATERIALS FOR ELECTRONIC DEVICES EED, EPHA6, ERCC1 CES2 29/4885CES1 3287/4885CA1 3372/4885
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR CES2 1791/4885CES1 653/4885CA1 4590/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 CES2 1304/4885CES1 345/4885CA1 4463/4885
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 CES2 4826/4885CES1 3515/4885CA1 4061/4885
US-20070066637-A1 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators CYP19A1, PGR, GNRHR CES2 1456/4885CES1 476/4885CA1 3565/4885

“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.