SCHEMBL2788640

SCHEMBL2788640

COC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.70
CYP26A1 O43174 7/20 0.64
RXRA P19793 10/20 0.59
RARB P10826 10/20 0.59
RXRB P28702 9/20 0.59
RARG P13631 9/20 0.59
RXRG P48443 7/20 0.59
RARA P10276 7/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP26B1 Q9NR63 2/20 0.55
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
TBXA2R P21731 1/20 0.52

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
SCHEMBL7422927 0.91 RXRA (0.70) CYP3A4CYP26A1RXRARARBRXRB
SCHEMBL9319204 0.91 CYP3A4 (0.67) CYP3A4CYP26A1RXRARARBRXRB
SCHEMBL7899482 0.90 RXRA (0.61) CYP3A4CYP26A1RXRARARBRXRB
SCHEMBL7421758 0.88 RXRA (0.72) CYP3A4CYP26A1RXRARARBRXRB
SCHEMBL7421190 0.88 RXRA (0.72) CYP3A4CYP26A1RXRARARBRXRB
SCHEMBL9187540 0.88 CYP3A4 (0.76) CYP3A4CYP26A1RXRARARBRXRB
SCHEMBL9746786 0.87 RARB (0.74) CYP3A4CYP26A1RXRARARBRXRB
SCHEMBL7896511 0.87 RXRA (0.63) CYP3A4CYP26A1RXRARARBRXRB
SCHEMBL9187032 0.87 CYP3A4 (0.74) CYP3A4CYP26A1RXRARARBRXRB
SCHEMBL8005377 0.86 RXRA (0.74) CYP3A4CYP26A1RXRARARBRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
EP-2102162-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2009-09-23 EP disclosed
WO-2008059128-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2008-05-22 WO 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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 CYP3A4 578/4885CYP26A1 451/4885RXRA 193/4885

“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.