SCHEMBL14927229

SCHEMBL14927229

CCCP(CCP(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL1577062 0.89 CYP3A4 (0.41) CYP3A4TDP1
SCHEMBL3075389 0.89 CYP3A4 (0.41) CYP3A4TDP1
SCHEMBL301087 0.89 CYP3A4 (0.41) CYP3A4TDP1TP53CES2CES1
SCHEMBL9492394 0.88 TSHR (0.33) CYP3A4TDP1CES2CES1
SCHEMBL1241769 0.87 CYP3A4 (0.39) CYP3A4TDP1TP53CES2CES1
SCHEMBL163845 0.84 TDP1 (0.41) CYP3A4TDP1TP53CES2CES1
Dimethylamine SCHEMBL10849585 0.83 CYP3A4 (0.36) CYP3A4TDP1TP53CES2CES1
SCHEMBL9403468 0.83 CYP3A4 (0.36) CYP3A4TDP1TP53CES2CES1
SCHEMBL9650051 0.82 TDP1 (0.39) CYP3A4TDP1TP53CES2CES1
SCHEMBL3068169 0.82 TDP1 (0.39) CYP3A4TDP1TP53CES2CES1

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-8957181-B2 Preparation process for cyclic conjugated polymer and polymerization catalyst for cyclic conjugated polymer SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2015-02-17 US disclosed
US-20130116481-A1 CONVERSION OF ALCOHOLS BP Biofuels UK Limited (GB) 2013-05-09 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-20130116481-A1 CONVERSION OF ALCOHOLS ADH1C, ADH1A, ADH5 CYP3A4 864/4885TDP1 3284/4885TP53 3642/4885

“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.