SCHEMBL6446839

SCHEMBL6446839

CC1=Cc2cc(C)n(-c3ccccc3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
NOTUM Q6P988 1/20 0.40
GAA P10253 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
HPGD P15428 6/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 2/20 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
Hydrochloric Acid SCHEMBL6520728 0.87 ALDH1A1 (0.33) ALDH1A1NOTUMHPGDMEN1KMT2A
SCHEMBL2964749 0.83 HPGD (0.32) ALDH1A1NOTUMGAAGSK3AGSK3B
SCHEMBL6442563 0.77 ALDH1A1 (0.41) ALDH1A1NOTUMGAAGSK3AGSK3B
SCHEMBL5974667 0.76 ALDH1A1 (0.40) ALDH1A1NOTUMGAAGSK3AGSK3B
Hydrochloric Acid SCHEMBL1071449 0.75 ALDH1A1 (0.39) ALDH1A1NOTUMHPGDMEN1KMT2A
SCHEMBL6442527 0.70 NOTUM (0.39) ALDH1A1NOTUMGAAHPGDMEN1
SCHEMBL17996872 0.70
Hydrochloric Acid SCHEMBL6519202 0.67 ALDH1A1 (0.35) ALDH1A1NOTUMHPGDMEN1KMT2A
SCHEMBL18011739 0.64 MAPT (0.47) ALDH1A1NOTUMMEN1KMT2AMAPT
SCHEMBL6547997 0.64 MAPT (0.35) ALDH1A1GAAHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082363-A1 ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE Basell Polyolefine GmbH (DE) 2001-03-14 EP claimed
WO-2000044799-A1 ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE TARGOR GMBH (DE) 2000-08-03 WO claimed
US-9896519-B2 Metallocene complex, preparation method thereof and catalyst composition CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2018-02-20 US disclosed
US-9896519-B2 Metallocene complex, preparation method thereof and catalyst composition CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2018-02-20 US disclosed
EP-3056505-A1 METALLOCENE COMPLEX, PREPARATION METHOD THEREFOR, AND CATALYST COMPOSITION Changchun Institute Of Applied Chemistry Chinese Academy Of Sciences (CN) 2016-08-17 EP disclosed
US-20160229928-A1 METALLOCENE COMPLEX, PREPARATION METHOD THEREOF AND CATALYST COMPOSITION Changchun Institute of Chemistry, Chinese Academy of Sciences (CN) 2016-08-11 US disclosed
US-20160229928-A1 METALLOCENE COMPLEX, PREPARATION METHOD THEREOF AND CATALYST COMPOSITION Changchun Institute of Chemistry, Chinese Academy of Sciences (CN) 2016-08-11 US disclosed
EP-1272532-B1 SALINE CHEMICAL COMPOSITION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-05-04 EP disclosed
EP-1175262-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2004-02-18 EP disclosed
EP-1290002-B1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-01-21 EP disclosed
EP-1290002-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2003-03-12 EP disclosed
WO-2001048035-A2 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 WO disclosed
EP-1082363-A1 ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE Basell Polyolefine GmbH (DE) 2001-03-14 EP disclosed
EP-1054914-A1 ZWITTERIONIC, NEUTRAL TRANSITION METAL COMPOUND Basell Polyolefine GmbH (DE) 2000-11-29 EP disclosed
WO-2000064906-A1 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF, AND ITS USE IN A CATALYST SYSTEM FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2000-11-02 WO disclosed
WO-2000062928-A1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2000-10-26 WO disclosed
WO-2000020466-A9 CATALYST SYSTEM TARGOR GMBH (DE) 2000-09-21 WO disclosed
WO-2000044799-A1 ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE TARGOR GMBH (DE) 2000-08-03 WO disclosed
WO-2000035973-A1 ZWITTERIONIC, NEUTRAL TRANSITION METAL COMPOUND WHICH CONTAINS BORON TARGOR GMBH (DE) 2000-06-22 WO disclosed
WO-2000018773-A1 CHEMICAL COMPOUND TARGOR GMBH (DE) 2000-04-06 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 (1 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-20160229928-A1 METALLOCENE COMPLEX, PREPARATION METHOD THEREOF AND CATALYST COMPOSITION EMC1, COPS4, ELP1 ALDH1A1 1031/4885NOTUM 979/4885GAA 2326/4885

“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.