SCHEMBL1069972

SCHEMBL1069972

C=CCCC1CCCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TP53 P04637 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
FAAH O00519 1/20 0.33
AKR1C3 P42330 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL27630787 0.85 CHRM2 (0.40) POLBL3MBTL1CHRNB2CHRNA7CHRNA4
SCHEMBL27630842 0.84 ALDH1A1 (0.40) L3MBTL1CHRNB2CHRNA7CHRNA4TP53
SCHEMBL7073933 0.83 CHRNB2 (0.40) POLBL3MBTL1CHRNB2CHRNA7CHRNA4
SCHEMBL27651115 0.80 POLB (0.41) POLBL3MBTL1
SCHEMBL20590901 0.79 AKR1C3 (0.47) POLBL3MBTL1TP53HCRTR1HCRTR2
SCHEMBL1967273 0.79 AKR1C3 (0.47) POLBL3MBTL1TP53HCRTR1HCRTR2
SCHEMBL4968512 0.79 AKR1C3 (0.47) POLBL3MBTL1TP53HCRTR1HCRTR2
SCHEMBL16965716 0.78 POLB (0.52) POLBL3MBTL1HRH3
SCHEMBL29060151 0.77 POLB (0.44) POLBL3MBTL1CHRNB2CHRNA7CHRNA4
SCHEMBL27855134 0.77 POLB (0.44) POLBL3MBTL1CHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591878-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 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 (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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 POLB 1718/4885L3MBTL1 707/4885CHRNB2 4829/4885

“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.