SCHEMBL9612005

SCHEMBL9612005

N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#N)c(F)c3)cc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.55
CYP11B2 P19099 18/20 0.46
CYP11B1 P15538 17/20 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
SCHEMBL22225479 0.92 TRPV4 (0.48) TRPV4CYP11B2CYP11B1
SCHEMBL9293782 0.91 CYP11B1 (0.50) TRPV4CYP11B2CYP11B1
SCHEMBL6864959 0.91 TRPV4 (0.47) TRPV4CYP11B2CYP11B1
SCHEMBL1797379 0.86 TRPV4 (0.59) TRPV4CYP11B2CYP11B1
SCHEMBL13657794 0.86 CYP11B1 (0.53) TRPV4CYP11B2CYP11B1
SCHEMBL9293042 0.86 CYP2A6 (0.52) TRPV4CYP11B2CYP11B1
SCHEMBL9610046 0.85 TRPV4 (0.42) TRPV4CYP11B2CYP11B1
SCHEMBL8645459 0.84 ACACB (0.45) TRPV4CYP11B2CYP11B1
SCHEMBL23335104 0.83 CYP11B1 (0.45) TRPV4CYP11B2CYP11B1
SCHEMBL7851781 0.83 TRPV4 (0.45) TRPV4CYP11B2CYP11B1

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-9169208-B2 Aromatic and aromatic/heteroaromatic molecular structures with controllable electron conducting properties E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-27 US disclosed
US-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-31 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-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT TRPV4 67/4885CYP11B2 466/4885CYP11B1 622/4885

“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.