SCHEMBL12390197

SCHEMBL12390197

O=C(O)c1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)=CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 1/20 0.49
▸ RARB P10826 1/20 0.49
▸ RARG P13631 1/20 0.49
▸ CYP2C8 P10632 1/20 0.45
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ SRD5A2 P31213 4/20 0.44
▸ P2RY14 Q15391 7/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ SRD5A1 P18405 2/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ ADRB3 P13945 2/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL12389766 0.86 IP6K1 (0.46) RXRARXRBRXRGSRD5A2MRGPRX4
SCHEMBL12365011 0.85 NOTUM (0.43) RARARARBRARGMRGPRX4
SCHEMBL12389867 0.84 RXRA (0.41) RARARARBRARGCYP2C8RXRA
SCHEMBL12365510 0.84 SRD5A2 (0.41) RARARARBRARGCYP2C8RXRA
SCHEMBL12365082 0.84 ESR2 (0.46) RARARARBRARGSRD5A2SRD5A1
SCHEMBL12366672 0.83 HTR2B (0.44) RARARARBRARGADRA1B
SCHEMBL12365158 0.83 CYP3A4 (0.49) SRD5A2SRD5A1
SCHEMBL12365038 0.83 MAPT (0.41) RARARARBRARGRXRASRD5A2
SCHEMBL12364994 0.83 SRD5A2 (0.49) RARARARBRARGRXRARXRB
SCHEMBL12364987 0.83 RARB (0.48) RARARARBRARGRXRARXRB

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 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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