SCHEMBL14648802

SCHEMBL14648802

COc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
APP P05067 1/20 0.42
CYP2C19 P33261 1/20 0.42
DYRK1A Q13627 2/20 0.41
AMY1A P0DUB6 1/20 0.41
ABCB1 P08183 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
RPS6KA3 P51812 1/20 0.39
NT5E P21589 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
PDK2 Q15119 1/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL16852397 0.87 AMY1A (0.51) CYP11B1CYP11B2AMY1ACD274NPC1
SCHEMBL17775112 0.85 ESR2 (0.44) APPCYP2C19DYRK1AABCB1ABL1
SCHEMBL13156763 0.83 PDE3B (0.37) CYP11B1CYP11B2RPS6KA3PDK2
SCHEMBL17775109 0.83 ABL1 (0.43) APPCYP2C19ABCB1ABL1BCR
SCHEMBL13791163 0.81 DYRK1A (0.50) CYP11B1CYP11B2DYRK1AABCB1ABL1
SCHEMBL16184211 0.81 CYP2C19 (0.56) CYP11B1CYP11B2APPCYP2C19DYRK1A
SCHEMBL14648804 0.81 ESR1 (0.45) APPCYP2C19ESR2
SCHEMBL17827773 0.80 APP (0.49) CYP11B1CYP11B2APPCYP2C19DYRK1A
SCHEMBL16183020 0.79 ACHE (0.52) CYP11B1CYP11B2APPCYP2C19DYRK1A
SCHEMBL21771748 0.79 AKR1C3 (0.39) RPS6KA3PDK2

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-8652353-B2 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2014-02-18 US disclosed
US-20130020532-A1 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2013-01-24 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-20130020532-A1 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy HCN2, HCN3, HCN1 CYP11B1 2344/4885CYP11B2 2689/4885APP 3839/4885

“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.