SCHEMBL5948628

SCHEMBL5948628

CCCC[CH]CCN(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 4/20 0.31

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
SCHEMBL5949013 0.93 ESR1 (0.38) TSHRPLA2G1BPLA2G2AESR1ESR2
SCHEMBL5948888 0.90 TSHR (0.36) TSHRALDH1A1PLA2G1BPLA2G2AESR1
SCHEMBL915195 0.88 KCNH2 (0.37) PLA2G1BPLA2G2ACA12CA1CA9
SCHEMBL5948823 0.84 MEN1 (0.33) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL23451757 0.81 SIGMAR1 (0.35) ALDH1A1MEN1POLBKMT2AKCNH2
SCHEMBL17389361 0.81 TSHR (0.41) TSHRPLA2G1BPLA2G2AESR1ESR2
SCHEMBL11798925 0.81 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL5949182 0.80 ALDH1A1 (0.32) ALDH1A1PLA2G1BPLA2G2AMEN1POLB
SCHEMBL23451565 0.79 SIGMAR1 (0.34) ALDH1A1MEN1POLBKMT2AKCNH2
SCHEMBL23451783 0.79 SIGMAR1 (0.34) ALDH1A1MEN1POLBKMT2AKCNH2

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 5 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
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 2182/4885ALDH1A1 274/4885PLA2G1B 1146/4885
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 TSHR 3975/4885ALDH1A1 1134/4885PLA2G1B 3427/4885

“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.