SCHEMBL12588776

SCHEMBL12588776

CC(C)=C1C(=O)CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
TP53 P04637 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL12220362 0.88 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL17023235 0.78 MEN1 (0.31) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL9261742 0.74
Butanedione SCHEMBL5077409 0.73 TSHR (0.44) SMN1; SMN2BAZ2BTP53
SCHEMBL2927288 0.71 MEN1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL14648576 0.71
SCHEMBL18751488 0.70
SCHEMBL6793523 0.70 ALDH1A1 (0.33) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL13696907 0.70 HTT (0.37) ALDH1A1MEN1KMT2A
SCHEMBL15592919 0.69 MEN1 (0.36) ALDH1A1MEN1KMT2ABAZ2BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-21 US disclosed
US-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-21 US disclosed
WO-2013010882-A2 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO disclosed
US-20110155976-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-06-30 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-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, CYP1A1, CYP4Z1 ALDH1A1 114/4885MEN1 3860/4885KMT2A 2040/4885

“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.