SCHEMBL865544

SCHEMBL865544

CCCCN(CC)CC(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
KCNH2 Q12809 6/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL27402550 0.89 PLA2G1B (0.42) PLA2G1BPLA2G2AALDH1A1TDP1CA12
SCHEMBL13106842 0.85 PLA2G1B (0.35) PLA2G1BPLA2G2AKCNH2
SCHEMBL15203102 0.82 ALDH1A1 (0.50) PLA2G1BPLA2G2AALDH1A1TDP1KCNH2
SCHEMBL27306915 0.81 PLA2G1B (0.32) PLA2G1BPLA2G2A
SCHEMBL15418391 0.81 DNM1 (0.44) PLA2G1BPLA2G2AALDH1A1TDP1CA12
SCHEMBL4366899 0.79 ALDH1A1 (0.52) PLA2G1BPLA2G2AALDH1A1TDP1KCNH2
SCHEMBL16577644 0.79 PLA2G1B (0.41) PLA2G1BPLA2G2AMAPTCA12CA1
SCHEMBL628733 0.79 ALDH1A1 (0.52) PLA2G1BPLA2G2AALDH1A1TDP1KCNH2
SCHEMBL5948663 0.79 PLA2G1B (0.36) PLA2G1BPLA2G2A
SCHEMBL5949196 0.79 PLA2G1B (0.31) PLA2G1BPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 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-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 PLA2G1B 4511/4885PLA2G2A 4446/4885MAPT 2877/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 PLA2G1B 2035/4885PLA2G2A 2459/4885MAPT 4632/4885

“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.