SCHEMBL317989

SCHEMBL317989

CCCCCCCCCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCCCCCCCCCC)cc(C(=O)OC)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.71
SMPD1 P17405 3/20 0.55
BLM P54132 1/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 1/20 0.51
ESR1 P03372 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
MAPT P10636 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL31006945 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL5090279 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL15731932 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL1568668 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL25328188 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL5086867 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL25327393 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL5095050 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL971768 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL31007015 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3263579-B1 PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED AJINOMOTO KK (JP) 2022-11-30 EP disclosed
EP-4049991-A1 PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED AJINOMOTO CO., INC. (JP) 2022-08-31 EP disclosed
US-10464966-B2 Precipitation promoter and precipitation method in which same is used AJINOMOTO CO., INC. (JP) 2019-11-05 US disclosed
EP-3263579-A1 PRECIPITATION ACCELERATOR AND PRECIPITATION METHOD IN WHICH SAME IS USED AJINOMOTO CO., INC. (JP) 2018-01-03 EP disclosed
US-20170320904-A1 PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED AJINOMOTO CO., INC. (JP) 2017-11-09 US disclosed
EP-2003104-B1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT JITSUBO CO LTD (JP) 2015-07-01 EP disclosed
US-8293948-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-10-23 US disclosed
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT JITSUBO CO., LTD. (JP) 2012-05-03 US disclosed
US-8093435-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-01-10 US disclosed
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent NATIONAL UNIVERSITY CORPORATION, TOKYO UNIVERSITY (JP) 2009-12-03 US disclosed
EP-2003104-A9 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT National University Corporation Tokyo University of Agriculture and Technology (JP) 2009-04-15 EP disclosed
EP-2003104-A2 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT National University Corporation Tokyo University of Agriculture and Technology (JP) 2008-12-17 EP 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 (4 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-20170320904-A1 PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED SP1, MED25, CTCF PLA2G2A 4226/4885SMPD1 4221/4885BLM 4352/4885
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent COASY, OSTC, OGA PLA2G2A 4670/4885SMPD1 3556/4885BLM 2266/4885
US-10464966-B2 Precipitation promoter and precipitation method in which same is used SP1, MED25, CTCF PLA2G2A 4226/4885SMPD1 4221/4885BLM 4352/4885
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT COASY, OSTC, OGA PLA2G2A 4670/4885SMPD1 3556/4885BLM 2266/4885

“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.