SCHEMBL12389867

SCHEMBL12389867

O=C(O)c1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1C(F)(F)F)=CCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ RXRG P48443 2/20 0.41
▸ SRD5A2 P31213 7/20 0.41
▸ SRD5A1 P18405 3/20 0.41
▸ CES2 O00748 1/20 0.38
▸ CYP2C8 P10632 1/20 0.37
▸ XPO1 O14980 2/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ ADH5 P11766 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL12365510 0.88 SRD5A2 (0.41) RXRARXRBRXRGSRD5A2SRD5A1
SCHEMBL12389665 0.86 NOTUM (0.43) CES2MAPK14
SCHEMBL12389569 0.85 SRD5A2 (0.46) RXRARXRBRXRGSRD5A2SRD5A1
SCHEMBL12390230 0.85 SLC9A1 (0.43) —
SCHEMBL12388304 0.84 EPHX2 (0.42) SRD5A2MAPK14
SCHEMBL12390197 0.84 RARA (0.49) RXRARXRBRXRGSRD5A2SRD5A1
SCHEMBL12389766 0.81 IP6K1 (0.46) RXRARXRBRXRGSRD5A2CES2
SCHEMBL12389667 0.78 RXRA (0.40) RXRARXRBRXRGSRD5A2CES2
SCHEMBL12365499 0.76 MAPK14 (0.40) MAPK14
SCHEMBL12365397 0.75 SRD5A2 (0.41) SRD5A2SRD5A1TTRALDH1A1MAPK14

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 RXRA 2978/4885RXRB 3078/4885RXRG 2144/4885

“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.

Send feedback