SCHEMBL9809579

SCHEMBL9809579

CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.63
TAAR1 Q96RJ0 1/20 0.55
KIF11 P52732 8/20 0.50
FDFT1 P37268 2/20 0.49
MIF P14174 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CHKA P35790 1/20 0.44
IDO1 P14902 1/20 0.44
DAO P14920 1/20 0.44

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
SCHEMBL8990753 0.98 MAOB (0.61) MAOBTAAR1KIF11FDFT1MIF
SCHEMBL1696674 0.94 TAAR1 (0.61) MAOBTAAR1MIFIDO1DAO
Ammonia Solution, Strong SCHEMBL6193177 0.91 TAAR1 (0.59) MAOBTAAR1MIFIDO1DAO
SCHEMBL10381413 0.88 MAOB (0.59) MAOBTAAR1KIF11FDFT1
SCHEMBL17108417 0.86 MAOB (0.58) MAOBTAAR1FDFT1
SCHEMBL8990675 0.86 MAOB (0.58) MAOBTAAR1KIF11FDFT1DAO
SCHEMBL10382748 0.86 MAOB (0.58) MAOBTAAR1FDFT1
SCHEMBL9075469 0.86 MAOB (0.47) MAOBTAAR1KIF11FDFT1
SCHEMBL8990814 0.86 MAOB (0.61) MAOBTAAR1KIF11FDFT1MIF
SCHEMBL10381425 0.85 MAOB (0.56) MAOBTAAR1FDFT1

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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
EP-0427829-A1 TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GmbH (DE) 1991-05-22 EP disclosed
WO-1990014404-A1 TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-29 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A MAOB 210/4885TAAR1 3386/4885KIF11 2743/4885

“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.