SCHEMBL3590959

SCHEMBL3590959

FC(F)(F)c1ccc(C[CH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 6/20 0.42
AHR P35869 1/20 0.39
PTGS1 P23219 1/20 0.39
MAOB P27338 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MTOR P42345 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NQO2 P16083 1/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
KIF11 P52732 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
SCHEMBL790207 0.88 TAAR1 (0.47) TAAR1IDO1AHRPTGS1MAOB
SCHEMBL28757558 0.82 ALDH1A1 (0.48) TAAR1IDO1MAOBALDH1A1KIF11
SCHEMBL4811925 0.78 ALDH1A1 (0.48) MAOBALDH1A1KIF11
SCHEMBL5779946 0.76 IDO1 (0.40) IDO1AHRPTGS1MTORALDH1A1
SCHEMBL6767276 0.76 PTGS1 (0.40) TAAR1IDO1AHRPTGS1MAOB
SCHEMBL5323954 0.74 TAAR1 (0.50) TAAR1IDO1MAOBKDM4EALDH1A1
SCHEMBL7381239 0.74 CACNA1H (0.45) KDM4EHIF1AKIF11
SCHEMBL624798 0.74 TAAR1 (0.50) TAAR1IDO1MAOBKDM4EALDH1A1
SCHEMBL3633320 0.72 TAAR1 (0.48) TAAR1IDO1MAOBKDM4EALDH1A1
SCHEMBL6459927 0.72 AHR (0.68) AHRPTGS1NQO2HIF1AEPAS1

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-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 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-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TAAR1 1215/4885IDO1 1794/4885AHR 3632/4885

“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.