SCHEMBL18655752

SCHEMBL18655752

C=C(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.37
▸ CYP2C19 P33261 8/20 0.37
▸ CYP2C9 P11712 7/20 0.37
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11913027 0.85 CES2 (0.40) CYP3A4CYP2C19CYP2C9CES2CES1
SCHEMBL17114310 0.84 CYP3A4 (0.48) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18650595 0.79 MAP4K4 (0.38) DHODH
SCHEMBL17120565 0.75 CES2 (0.42) CYP2C19CES2CES1CYP1A2DHODH
SCHEMBL22238272 0.75 KDM4E (0.39) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL11913026 0.70 CYP3A4 (0.56) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18655753 0.70 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18650601 0.70 CYP3A4 (0.46) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18655741 0.70 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL20903514 0.70 GAA (0.40) CYP3A4CYP2C19CYP2C9CES2CES1

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-20170081285-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-03-23 — — 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-20170081285-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 CYP3A4 19/4885CYP2C19 290/4885CYP2C9 307/4885

“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.

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