SCHEMBL1088583

SCHEMBL1088583

CC1=C(C)C(Cc2ccccc2)C(C)=C1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.46
CES2 O00748 5/20 0.43
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GBA1 P04062 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
SCHEMBL22411234 0.77 GAA (0.32)
SCHEMBL12272460 0.67 TSHR (0.51) EP300CES2ALDH1A1MAPTHTT
SCHEMBL7756632 0.67 TP53 (0.36) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL2976090 0.67 EP300 (0.46) EP300CES2MEN1KMT2AKDM4C
SCHEMBL3918548 0.67 HTR2A (0.54) EP300TP53MEN1KMT2AALDH1A1
SCHEMBL2947513 0.67 TLR9 (0.43) EP300TP53GBA1
SCHEMBL6655441 0.67 TLR9 (0.43) EP300TP53GBA1
SCHEMBL9244022 0.66 CALM1 (0.42) TP53MAPT
SCHEMBL9055148 0.65 MAPT (0.52) EP300CES2TP53MEN1KMT2A
SCHEMBL11594580 0.65 TSHR (0.54) EP300CES2HTT

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-8153839-B2 Method for synthesis of keto acids or amino acids by hydration of acetylene compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-10 US disclosed
US-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed
EP-1932824-A1 METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND Japan Science and Technology Agency (JP) 2008-06-18 EP disclosed
US-5414173-A Process of preparing cyclopentadiene and substituted derivatives thereof THE DOW CHEMICAL COMPANY (US) 1995-05-09 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-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND AADAT, BCAT2, BCAT1 EP300 2479/4885CES2 3246/4885TP53 98/4885

“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.