SCHEMBL20115307

SCHEMBL20115307

C[C@@H](N1CCCCC1)C(O)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.62
CYP2C9 P11712 12/20 0.62
CYP2C19 P33261 12/20 0.62
LMNA P02545 2/20 0.62
CYP2B6 P20813 1/20 0.62
CYP3A5 P20815 1/20 0.62
CYP3A7 P24462 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP3A43 Q9HB55 1/20 0.62
CYP46A1 Q9Y6A2 1/20 0.62
HSP90AA1 P07900 1/20 0.60
CYP19A1 P11511 1/20 0.60
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
ADRA1A P35348 1/20 0.60
CYP51A1 Q16850 1/20 0.60
CYP1A2 P05177 7/20 0.57
CYP2D6 P10635 7/20 0.57
KCNH2 Q12809 3/20 0.57

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
SCHEMBL31268478 1.00 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL13301072 0.91 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL8104629 0.90 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL3224386 0.90 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL13301071 0.90 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Efinaconazole SCHEMBL8376515 0.89 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Efinaconazole SCHEMBL8375862 0.89 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Efinaconazole SCHEMBL20017139 0.89 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL20913723 0.89 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Efinaconazole SCHEMBL18289604 0.89 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19LMNACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10245257-B2 Anti-infective methods, compositions, and devices DOW PHARMACEUTICAL SCIENCES, INC. (US) 2019-04-02 US disclosed
US-20180118714-A1 PROCESS FOR THE PREPARATION OF EFINACONAZOLE LUPIN LIMITED (IN) 2018-05-03 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 (2 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-20180118714-A1 PROCESS FOR THE PREPARATION OF EFINACONAZOLE CYP3A4, ERG28, CYP4Z1 CYP3A4 1/4885CYP2C9 47/4885CYP2C19 31/4885
US-10245257-B2 Anti-infective methods, compositions, and devices ETF1, POLR1C, PIK3C3 CYP3A4 1575/4885CYP2C9 960/4885CYP2C19 655/4885

“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.