SCHEMBL5948633

SCHEMBL5948633

CCCC(C)CCN(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5948830 0.95 TSHR (0.42) TSHRPLA2G1BPLA2G2A
SCHEMBL5948893 0.85 SIGMAR1 (0.39) TSHRPLA2G1BPLA2G2ASIGMAR1
SCHEMBL5948493 0.85 PLA2G1B (0.42) PLA2G1BPLA2G2ASIGMAR1
SCHEMBL18689792 0.84 TSHR (0.44) TSHRPLA2G1BPLA2G2ASIGMAR1
SCHEMBL24645749 0.84 TSHR (0.34) TSHRPLA2G1BPLA2G2A
SCHEMBL19185878 0.81 PLA2G1B (0.53) TSHRPLA2G1BPLA2G2ASIGMAR1
SCHEMBL13819759 0.81 SIGMAR1 (0.34) PLA2G1BPLA2G2ASIGMAR1
SCHEMBL5948706 0.81 SIGMAR1 (0.34) PLA2G1BPLA2G2ASIGMAR1
SCHEMBL19034084 0.81
SCHEMBL3924480 0.80 ALDH1A1 (0.40) TSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3936153-A1 INHIBITING ATAXIA TELANGIECTASIA AND RAD3-RELATED PROTEIN (ATR) Celator Pharmaceuticals, Inc. (US) 2022-01-12 EP disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
WO-2017050714-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-30 WO disclosed
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
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

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 TSHR 2182/4885PLA2G1B 1146/4885PLA2G2A 1543/4885
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 TSHR 3975/4885PLA2G1B 3427/4885PLA2G2A 4635/4885

“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.