SCHEMBL9831160

SCHEMBL9831160

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
LMNA P02545 5/20 0.64
ALDH1A1 P00352 6/20 0.62
HSD17B10 Q99714 6/20 0.62
USP2 O75604 1/20 0.62
TSHR P16473 5/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 3/20 0.55
RECQL P46063 2/20 0.55
MEN1 O00255 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
GAA P10253 1/20 0.49
HTT P42858 2/20 0.47

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
SCHEMBL9031442 0.92 KDM4E (0.56) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL8106730 0.89 KDM4E (0.86) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL9831380 0.89 KDM4E (0.86) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL3775215 0.84 KDM4E (0.62) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL9033301 0.79 KDM4E (0.55) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL432202 0.79 KDM4E (0.66) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL3503405 0.78 KDM4E (1.00) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL5359112 0.78 GAA (0.59) KDM4ELMNAALDH1A1HSD17B10TSHR
SCHEMBL1664197 0.78 ALDH1A1 (0.65) KDM4ELMNAALDH1A1HSD17B10TSHR
SCHEMBL7378737 0.77 KDM4E (0.45) KDM4ELMNAALDH1A1HSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023077218-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2023-05-11 WO disclosed
US-9657029-B2 Method of preparing oxymorphone SIEGFRIED GENERICS INTERNATIONAL AG (CH) 2017-05-23 US disclosed
US-20150133484-A1 METHOD OF PREPARING OXYMORPHONE SIEGFRIED GENERICS INTERNATIONAL AG (CH) 2015-05-14 US disclosed
EP-0253092-B1 1,4-DIHYDROPYRIDINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTITHROMBOTIC DRUGS ALTER, S.A. (ES) 1991-09-25 EP disclosed
US-4782069-A INHIBITION OF PLATELET ACTIVATION ALTER, S.A. (ES) 1988-11-01 US disclosed
EP-0253092-A1 1,4-Dihydropyridines, processes for their preparation and their use as antithrombotic drugs ALTER, S.A. (ES) 1988-01-20 EP disclosed
US-4317768-A A PHENYL DIESTER OF 3,5-DICARBOXY-1,4-DIHYDROPYRIDINE LABAZ (FR) 1982-03-02 US disclosed
US-4239893-A STABILIZERS FOR VINYL RESINS LABAZ (FR) 1980-12-16 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-20150133484-A1 METHOD OF PREPARING OXYMORPHONE OPRK1, OPRD1, OGFR KDM4E 4388/4885LMNA 3214/4885ALDH1A1 1182/4885

“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.