SCHEMBL5952371

SCHEMBL5952371

CC(C)C1Cc2c(cccc2-c2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
ACHE P22303 2/20 0.39
ANPEP P15144 2/20 0.38
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
BRD4 O60885 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CREBBP Q92793 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL5951742 0.80 HTR7 (0.43) HTR1AHTR7ACHEBRD4SLC6A3
SCHEMBL2486074 0.79 PIM1 (0.41) PARP10PARP11ACHEBRD4
SCHEMBL5952742 0.79 ACHE (0.40) HTR1AHTR7ACHEBRD4CREBBP
SCHEMBL5951268 0.79 ACHE (0.41) ACHE
SCHEMBL5952596 0.78 HTR1A (0.46) HTR1AHTR7ACHEANPEPIL1RN
SCHEMBL3066323 0.78 ACHE (0.64) PARP10PARP11HTR1AHTR7ACHE
SCHEMBL5951436 0.78 GABRG2 (0.43) HTR7BRD4
SCHEMBL5952174 0.77 METAP1 (0.39) PARP10PARP11HTR1AHTR7ACHE
SCHEMBL5952058 0.75 ACHE (0.60) PARP10PARP11HTR1AHTR7ACHE
SCHEMBL5951603 0.75 METAP1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-6891005-B2 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED (GB) 2005-05-10 US disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030199650-A1 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED 2003-10-23 US disclosed
EP-1119575-B1 BRIDGED METAL COMPLEXES DOW CHEMICAL CO (US) 2003-09-03 EP disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
EP-1141034-B1 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP CHEM INT LTD (GB) 2002-10-30 EP disclosed
US-6376406-B1 COORDINATION POLYMERIZATION CATALYSTS FOR ALPHA-OLEFINS THE DOW CHEMICAL COMPANY 2002-04-23 US disclosed
EP-0834519-B1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN JAPAN POLYOLEFINS CO LTD (JP) 2002-03-06 EP disclosed
EP-1141034-A2 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP Chemicals Limited (GB) 2001-10-10 EP disclosed
US-6284905-B1 GROUP 4 TRANSITION METAL COMPLEX CONTAINING A BORON OR ALUMINUM BRIDGING GROUP CONTAINING A NITROGEN CONTAINING ELECTRON DONATING GROUP, ESPECIALLY AN AMIDO GROUP; OLEFIN SOLUTION OR SLURRY POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2001-09-04 US disclosed
EP-1119575-A1 BRIDGED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-08-01 EP disclosed
US-6121182-A A METALLOCENE CATALYST FOR POLYMERIZATION OF ISOTACTIC POLYOLEFINS WITH HIGH RIGIDITY AND HIGH MELTING POINT, USEFUL AS INDUSTRIAL MATERIAL FOR AUTOMOBILES JAPAN POLYOLAFINS CO., LTD. (JP) 2000-09-19 US disclosed
WO-2000020462-A2 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP CHEMICALS LIMITED (GB) 2000-04-13 WO disclosed
WO-2000020426-A1 BRIDGED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-04-13 WO disclosed
EP-0834519-A1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN Japan Polyolefins Co., Ltd. (JP) 1998-04-08 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 (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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A PARP10 2016/4885PARP11 2757/4885HTR1A 2570/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 PARP10 2151/4885PARP11 2439/4885HTR1A 2132/4885

“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.