SCHEMBL2402992

SCHEMBL2402992

O=C(O)/C=C/C(=O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.60
TSHR P16473 4/20 0.60
TP53 P04637 1/20 0.60
EGLN1 Q9GZT9 1/20 0.60
EGLN3 Q9H6Z9 1/20 0.60
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABRR1 P24046 2/20 0.35
GABRR2 P28476 2/20 0.35
BLM P54132 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
LMNA P02545 1/20 0.35

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
Fumaric Acid SCHEMBL27560148 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL1238140 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL499484 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL63810 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL1979606 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL5822456 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL4949804 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL8418674 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL20487518 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL27731205 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924548-B1 ESTER PRODRUGS OF PROSTRATIN AND RELATED PHORBOL COMPOUNDS SALVIA SCIENCES INC (US) 2018-03-28 EP disclosed
US-8431612-B2 Ester prodrugs of prostratin and related phorbol compounds SALVIA SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20110251421-A1 Ester Prodrugs of Prostratin and Related Phorbol Compounds SALVIA SCIENCES, INC. (US) 2011-10-13 US disclosed
US-8022103-B2 Ester prodrugs of prostratin and related phorbol compounds SALVIA SCIENCES, INC. (US) 2011-09-20 US disclosed
US-20090163587-A1 ESTER PRODRUGS OF PROSTRATIN AND RELATED PHORBOL COMPOUNDS SALVIA SCIENCES, INC. (US) 2009-06-25 US disclosed
EP-1924548-A2 ESTER PRODRUGS OF PROSTRATIN AND RELATED PHORBOL COMPOUNDS Salvia Sciences, Inc. (US) 2008-05-28 EP disclosed
WO-2007009055-A2 ESTER PRODRUGS OF PROSTRATIN AND RELATED PHORBOL COMPOUNDS SALVIA SCIENCES, INC. (US) 2007-01-18 WO disclosed
US-4212982-A Polyisocyanates with at least one hydantoin or thiohydantoin ring substituted by carboxylic acid amide groups BAYER AKTIENGESELLSCHAFT (DE) 1980-07-15 US disclosed
US-3904628-A NOVEL CYCLOALKANOL FUMARATE ETHERS AND A PROCESS FOR THE PREPARATION THEREOF EGYT GYOGYSZERVEGYESZETI GYAR 1975-09-09 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 (2 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-20110251421-A1 Ester Prodrugs of Prostratin and Related Phorbol Compounds PMAIP1, PTGIR, PTGDR HCAR2 164/4885TSHR 1604/4885TP53 205/4885
US-20090163587-A1 ESTER PRODRUGS OF PROSTRATIN AND RELATED PHORBOL COMPOUNDS PMAIP1, PTGIR, PTGDR HCAR2 104/4885TSHR 946/4885TP53 340/4885

“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.