SCHEMBL2331231

SCHEMBL2331231

COC(=O)C(NC(C)=O)=C(C)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SRC P12931 1/20 0.40
EPHX1 P07099 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL2331221 1.00 TSHR (0.47) TSHRALDH1A1KDM4ELMNACYP1A2
SCHEMBL2331227 1.00 TSHR (0.47) TSHRALDH1A1KDM4ELMNACYP1A2
SCHEMBL22303088 0.88 TDP1 (0.50) TSHRALDH1A1KDM4ELMNACYP1A2
SCHEMBL1880827 0.86 TSHR (0.47) TSHRALDH1A1KDM4ELMNACYP1A2
SCHEMBL2331029 0.83 SMN1; SMN2 (0.51) TSHRALDH1A1KDM4ECYP3A4GAA
SCHEMBL3959577 0.83 SMN1; SMN2 (0.51) TSHRALDH1A1KDM4ECYP3A4GAA
SCHEMBL28433726 0.83 TP53 (0.46) TSHRALDH1A1KDM4ELMNACYP1A2
Methyl Alcohol SCHEMBL8740643 0.81 SMN1; SMN2 (0.50) TSHRALDH1A1KDM4ECYP3A4GAA
SCHEMBL14868118 0.79 TSHR (0.56) TSHRALDH1A1KDM4ELMNACYP3A4
SCHEMBL14868116 0.79 TSHR (0.56) TSHRALDH1A1KDM4ELMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534161-A1 ENANTIOMERICALLY ENRICHED AMINODIPHOSPHINES AS LIGANDS FOR THE PREPARATION OF CATALYSTS FOR ASYMMETRIC SYNTHESIS Enantia, S.L. (ES) 2012-12-19 EP disclosed
US-20120309997-A1 Enantiomerically Enriched Aminodiphosphines as Ligands for the Preparation of Catalysts for Asymmetric Synthesis ENANTIA, S.L. (ES) 2012-12-06 US disclosed
WO-2011098160-A1 ENANTIOMERICALLY ENRICHED AMINODIPHOSPHINES AS LIGANDS FOR THE PREPARATION OF CATALYSTS FOR ASYMMETRIC SYNTHESIS ENANTIA, S.L. (ES) 2011-08-18 WO 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-20120309997-A1 Enantiomerically Enriched Aminodiphosphines as Ligands for the Preparation of Catalysts for Asymmetric Synthesis PHOSPHO1, AASDHPPT, AGPS TSHR 4609/4885ALDH1A1 3462/4885KDM4E 1475/4885

“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.