SCHEMBL12389923

SCHEMBL12389923

COc1cccc(C2=CCCc3ccc(C(=O)O)cc32)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ TPMT P51580 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ SRD5A1 P18405 1/20 0.37

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
SCHEMBL12390311 0.91 MAPT (0.38) NOTUMPOLBALDH1A1L3MBTL1MEN1
SCHEMBL12389331 0.86 HTR2B (0.41) RAB9AMAPTSMN1; SMN2
SCHEMBL12390182 0.85 SRD5A2 (0.46) ALDH1A1HPGDKMT2AKDM4EMRGPRX4
SCHEMBL12389903 0.84 LMNA (0.39) POLBALDH1A1HPGDL3MBTL1MEN1
SCHEMBL12390118 0.84 MRGPRX4 (0.45) POLBALDH1A1HPGDL3MBTL1MRGPRX4
SCHEMBL12389195 0.84 SRD5A2 (0.39) NOTUMPOLBALDH1A1L3MBTL1MEN1
SCHEMBL12389841 0.83 LMNA (0.45) MRGPRX4CA12CA1CA2CA4
SCHEMBL12388965 0.82 RARA (0.44) MRGPRX4CA12CA1CA2CA4
SCHEMBL12389785 0.82 CYP11B1 (0.40) NOTUMMRGPRX4CA12CA1CA2
SCHEMBL12365049 0.79 LMNA (0.41) MRGPRX4CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E NOTUM 1719/4885POLB 4142/4885ALDH1A1 934/4885

“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.

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