SCHEMBL1534232

SCHEMBL1534232

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC(CO)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RHOA P61586 14/20 0.54
RHOC P08134 2/20 0.54
GRM3 Q14832 3/20 0.49
EPHX2 P34913 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL12959500 0.92 GRM3 (0.47) RHOARHOCGRM3EPHX2CYP3A4
SCHEMBL1534248 0.80 RHOA (0.64) RHOARHOC
SCHEMBL10724293 0.80 GRM3 (0.68) GRM3EPHX2
SCHEMBL1534302 0.79 RHOA (0.54) RHOARHOCCYP3A4
SCHEMBL30946669 0.79 RHOA (0.62) RHOARHOC
SCHEMBL1534160 0.79 RHOA (0.67) RHOARHOC
SCHEMBL10723661 0.78 GRM3 (0.56) GRM3EPHX2
SCHEMBL12449544 0.78 GRM3 (0.51) GRM3EPHX2
SCHEMBL3765179 0.77 LMNA (0.63) RHOA
SCHEMBL13431504 0.77 GRM3 (0.55) GRM3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
WO-2011035143-A2 METHODS AND COMPOSITIONS FOR INHIBITING RHO-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
WO-2011035143-A2 METHODS AND COMPOSITIONS FOR INHIBITING RHO-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 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-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION RHOA, RHOC, ROCK1 RHOA 1/4885RHOC 2/4885GRM3 2162/4885

“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.