SCHEMBL5948622

SCHEMBL5948622

CCCCC(CC)N(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 7/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 4/20 0.33
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
FDPS P14324 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5949009 0.92 PLA2G1B (0.39) DNM1TSHRCA1PLA2G1BPLA2G2A
SCHEMBL29286819 0.90 PLA2G1B (0.42) DNM1TSHRPLA2G1BPLA2G2AFDPS
SCHEMBL118906 0.90 PLA2G1B (0.42) DNM1TSHRPLA2G1BPLA2G2AFDPS
Hydrochloric Acid SCHEMBL27987612 0.88 PLA2G1B (0.41) DNM1TSHRPLA2G1BPLA2G2AFDPS
Bromide SCHEMBL28907094 0.88 PLA2G1B (0.41) DNM1TSHRPLA2G1BPLA2G2AFDPS
SCHEMBL5948884 0.84 DNM1 (0.36) ALDH1A1TDP1DNM1TSHRCYP3A4
SCHEMBL5948819 0.83
SCHEMBL26628362 0.83 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL9949325 0.83 ALDH1A1 (0.39) ALDH1A1TDP1TSHRSMN1; SMN2CA2
SCHEMBL28258943 0.82 ALDH1A1 (0.36) ALDH1A1TDP1DNM1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101940-B2 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-09-05 US disclosed
US-7034173-B2 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) 2006-04-25 US disclosed
US-6953829-B2 Catalyst system and the use thereof BASELL POLYOLEFINE GMBH (DE) 2005-10-11 US 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
US-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-07-31 US 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
EP-1280600-A2 SUPPORTED CATALYST SYSTEM COMPRISING A METALLOCENE, A LEWIS-BASE AND AN ORGANODEMENTAL COMPOUND OF MAIN GROUP III, AND ITS USE Basell Polypropylen GmbH (DE) 2003-02-05 EP disclosed
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-01-16 US disclosed
EP-1250363-A2 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2002-10-23 EP disclosed
WO-2001090112-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) 2001-11-29 WO disclosed
WO-2001047635-A2 SUPPORTED CATALYST SYSTEM CONTAINING A METALLOCENE, A LEWIS BASE AND AN ELEMENTALLY ORGANIC COMPOUND OF MAIN GROUP III AND THE USE THEREOF BASELL POLYPROPYLEN GMBH (DE) 2001-07-05 WO 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
US-4107441-A HYPOTENSIVE, ANTIULCER, BRONCHODILATORS, ANTIMICROBIAL, ANTICONVULSANTS AMERICAN CYANAMID COMPANY (US) 1978-08-15 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 (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-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins CBR1, COX6C, CBR3 ALDH1A1 274/4885TDP1 3501/4885DNM1 4094/4885
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 ALDH1A1 1134/4885TDP1 3824/4885DNM1 2698/4885

“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.