SCHEMBL2115936

SCHEMBL2115936

Cn1cccc1-c1nc(O)cc(O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PCSK9 Q8NBP7 1/20 0.38
RAB9A P51151 2/20 0.37
MAPT P10636 4/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL4023346 0.76 ESR1 (0.41) ALDH1A1KDM4EGAACYP2A6CYP2A13
SCHEMBL18482878 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EGAACYP2A6CYP2A13
SCHEMBL3469899 0.74 KDM4E (0.42) ALDH1A1KDM4EGAACYP2A6CYP2A13
SCHEMBL1232645 0.74 KDM4E (0.45) ALDH1A1KDM4EGAACYP2A6CYP2A13
SCHEMBL2117930 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EGAACYP2A6CYP2A13
SCHEMBL13658284 0.72 NPC1 (0.55) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL18483370 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EGAACYP2A6CYP2A13
SCHEMBL18471452 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EGAACYP2A6CYP2A13
SCHEMBL197196 0.71 PCSK9 (0.60) ALDH1A1KDM4EGAACYP2A6CYP2A13
SCHEMBL3468912 0.71 KDM4E (0.37) ALDH1A1KDM4EGAACYP2A6CYP2A13

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
US-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 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 (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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST ALDH1A1 2454/4885KDM4E 4378/4885GAA 2959/4885

“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.