SCHEMBL3762224

SCHEMBL3762224

CCCCC(CC)COC(=O)C=Cc1ccccc1-c1ccccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 7/20 0.49
LMNA P02545 4/20 0.49
MAPK1 P28482 3/20 0.49
CYP3A4 P08684 3/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 4/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29000084 0.92 TDP1 (0.56) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL29000086 0.92 TDP1 (0.56) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL31329227 0.85 TDP1 (0.50) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL12970634 0.84 TDP1 (0.53) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL156437 0.83 TDP1 (0.50) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL288562 0.83 TDP1 (0.50) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL28629258 0.82 APP (0.47) ALDH1A1LMNAMAPK1CYP3A4TSHR
SCHEMBL28414558 0.81 CCNC (0.46) ALDH1A1LMNACYP3A4CA2L3MBTL1
SCHEMBL10888642 0.80 TDP1 (0.57) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL28084501 0.80 TSHR (0.59) TDP1ALDH1A1LMNAMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100310617-A1 WATER-IN-OIL EMULSION SYSTEM AND PREPARATION PROCESS THEREOF EVONIK GOLDSCHMIDT GMBH (DE) 2010-12-09 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-20100310617-A1 WATER-IN-OIL EMULSION SYSTEM AND PREPARATION PROCESS THEREOF FAM83E, WDR12, WDR82 TDP1 2115/4885ALDH1A1 4812/4885LMNA 1189/4885

“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.