SCHEMBL3766930

SCHEMBL3766930

CCCCCCCCCC(C)(C)c1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 1/20 0.48
CNR2 P34972 7/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 6/20 0.41
FADS1 O60427 1/20 0.40
CCR4 P51679 4/20 0.39
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL38590 0.99 CDC25B (0.50) CDC25BHPGDALDH1A1TP53CYP3A4
SCHEMBL9472954 0.84 CDC25B (0.57) CDC25BHPGDALDH1A1TP53CYP3A4
Dodecane SCHEMBL28043302 0.82 HPGD (0.73) CDC25BHPGDALDH1A1TP53CYP3A4
SCHEMBL1605213 0.82 KDM4E (0.42) CDC25BHPGDALDH1A1TP53CYP3A4
SCHEMBL8746945 0.81 CNR2 (0.43) CNR2CNR1
SCHEMBL8962062 0.81 CNR2 (0.39) CNR2KDM4EKMT2ACNR1MEN1
SCHEMBL871745 0.80 CDC25B (0.42) CDC25BHPGDALDH1A1TP53CYP3A4
SCHEMBL38589 0.80 CDC25B (0.56) CDC25BHPGDALDH1A1TP53CYP3A4
SCHEMBL29387958 0.80 CDC25B (0.56) CDC25BHPGDALDH1A1TP53CYP3A4
SCHEMBL3356610 0.79 ALDH1A1 (0.49) HPGDALDH1A1CYP3A4HSD17B10RAB9A

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
EP-2350241-B1 USE OF AN OLIGOMER-BASED ADDITIVE FOR STABILIZING A LUBRICATING COMPOSITION FOR A CONVEYOR CHAIN NYCO SA (FR) 2014-04-30 EP claimed
US-20100305011-A1 ANTI-OXIDATION AND/OR ANTI-CORROSION AGENT, LUBRICATING COMPOSITION CONTAINING SAID AGENT AND METHOD FOR PREPARING THE SAME NYCO SA (FR) 2010-12-02 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-20100305011-A1 ANTI-OXIDATION AND/OR ANTI-CORROSION AGENT, LUBRICATING COMPOSITION CONTAINING SAID AGENT AND METHOD FOR PREPARING THE SAME AOC1, AOC2, MAOA CDC25B 4237/4885HPGD 638/4885ALDH1A1 399/4885

“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.