SCHEMBL12388965

SCHEMBL12388965

COc1ccc(C#N)cc1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 4/20 0.44
▸ RARB P10826 4/20 0.44
▸ RARG P13631 4/20 0.44
▸ LMNA P02545 2/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ TPMT P51580 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ PTGER1 P34995 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ USP2 O75604 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
SCHEMBL12389785 0.91 CYP11B1 (0.40) RARARARBRARGLMNACA12
SCHEMBL12389598 0.90 NAMPT (0.43) RARARARBRARGMRGPRX4HTT
SCHEMBL2260276 0.86 DRD2 (0.37) KDM1A
SCHEMBL12365263 0.85 RARA (0.41) RARARARBRARGMRGPRX4PTGER1
SCHEMBL12365879 0.83 RARA (0.39) RARARARBRARGPTGER1KDM4C
SCHEMBL12389802 0.83 LMNA (0.47) RARARARBRARGLMNACA12
SCHEMBL12365091 0.83 MRGPRX4 (0.42) RARARARBRARGMRGPRX4KDM4C
SCHEMBL12389833 0.82 F11 (0.43) RARARARBRARGLMNACA12
SCHEMBL12389923 0.82 NOTUM (0.40) LMNACA12CA1CA2CA4
SCHEMBL12389033 0.82 NAMPT (0.43) MRGPRX4HTTMAPK1USP2MAPT

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 RARA 3177/4885RARB 3149/4885RARG 2057/4885

“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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