SCHEMBL12389785

SCHEMBL12389785

COc1cc(C#N)ccc1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ RARA P10276 2/20 0.39
▸ RARB P10826 2/20 0.39
▸ RARG P13631 2/20 0.39
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ TPMT P51580 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ EGLN1 Q9GZT9 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PLA2G4A P47712 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
SCHEMBL12388965 0.91 RARA (0.44) RARARARBRARGMRGPRX4CA12
SCHEMBL12389033 0.90 NAMPT (0.43) CYP11B1CYP11B2MRGPRX4EGLN1USP2
SCHEMBL12390377 0.86 HTR7 (0.39) CYP11B1CYP11B2EGLN1USP2MAPT
SCHEMBL12365091 0.85 MRGPRX4 (0.42) CYP11B1CYP11B2RARARARBRARG
SCHEMBL12389015 0.84 LMNA (0.49) CA12CA1CA2CA4CA6
SCHEMBL12389091 0.83 SRD5A1 (0.48) MRGPRX4CA12CA1CA2CA4
SCHEMBL12389028 0.83 LMNA (0.44) CA12CA1CA2CA4CA6
SCHEMBL12365263 0.83 RARA (0.41) RARARARBRARGMRGPRX4ALK
SCHEMBL12389923 0.82 NOTUM (0.40) MRGPRX4CA12CA1CA2CA4
SCHEMBL12389598 0.82 NAMPT (0.43) CYP11B1CYP11B2RARARARBRARG

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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 CYP11B1 662/4885CYP11B2 707/4885RARA 3177/4885

“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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