SCHEMBL1576722

SCHEMBL1576722

COC(=O)/C(C#N)=C\C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
APP P05067 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 8/20 0.43
ALDH1A1 P00352 7/20 0.43
PKM P14618 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
SNCA P37840 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL1576724 1.00 POLB (0.46) POLBAPPADORA2AADORA2BADORA1
SCHEMBL17466006 0.84 MAPT (0.52) POLBKDM4EKMT2AALDH1A1MAPT
SCHEMBL14163400 0.83 DNM1 (0.46) POLBKDM4EKMT2AALDH1A1PKM
SCHEMBL2807525 0.82 KMT2A (0.44) POLBKDM4EKMT2AALDH1A1PKM
SCHEMBL4857575 0.82 KMT2A (0.44) POLBKDM4EKMT2AALDH1A1PKM
SCHEMBL2807530 0.82 KMT2A (0.44) POLBKDM4EKMT2AALDH1A1PKM
SCHEMBL14017686 0.80 MAPT (0.41) POLBKDM4EKMT2AALDH1A1PKM
SCHEMBL14156466 0.78 MAOB (0.38) POLBKDM4EKMT2AALDH1A1PKM
SCHEMBL14156277 0.78 KMT2A (0.36) POLBKDM4EKMT2AALDH1A1PKM
SCHEMBL14017685 0.78 MAOB (0.40) POLBKDM4EKMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364690-B2 Composition comprising a superabsorbent polymer and a gemini surfactant L'OREAL (FR) 2016-06-14 US disclosed
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2016-03-10 US disclosed
US-20150224046-A1 COMPOSITION CONTAINING A SUPERABSORBENT POLYMER AND AN ORGANIC UV SCREENING AGENT L'OREAL (FR) 2015-08-13 US disclosed
US-20130039963-A1 COMPOSITION COMPRISING A SUPERABSORBENT POLYMER AND A GEMINI SURFACTANT L'OREAL (FR) 2013-02-14 US disclosed
WO-2011038778-A1 USE OF CAPROLACTAM DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS COMPRISING IT L'OREAL (FR) 2011-04-07 WO disclosed
WO-2011038776-A1 USE OF PIPERIDINE ESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS COMPRISING IT L'OREAL (FR) 2011-04-07 WO 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 (3 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-20150224046-A1 COMPOSITION CONTAINING A SUPERABSORBENT POLYMER AND AN ORGANIC UV SCREENING AGENT KRT18, FABP2, FABP4 POLB 112/4885APP 2596/4885ADORA2A 4222/4885
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME DIMT1, FADS2, SCD POLB 1298/4885APP 2842/4885ADORA2A 621/4885
US-20130039963-A1 COMPOSITION COMPRISING A SUPERABSORBENT POLYMER AND A GEMINI SURFACTANT SGMS2, SGMS1, SCO2 POLB 201/4885APP 3729/4885ADORA2A 3151/4885

“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.