SCHEMBL3099432

SCHEMBL3099432

COc1ccc(-c2[nH]c(=O)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
EGFR P00533 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
MAP2K1 Q02750 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
ALPL P05186 1/20 0.43
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL6538871 0.84 MAOB (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9705393 0.79 NOTUM (0.45) NOTUMMEN1KMT2AEGFRABCG2
SCHEMBL11753299 0.77 NOTUM (0.44) NOTUMKDM4EALDH1A1MAPTLMNA
SCHEMBL8441892 0.74 KDM4E (0.52) NOTUMKMT2AMAP2K1KDM4EALDH1A1
SCHEMBL5212912 0.71 ALDH1A1 (0.42) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL7367312 0.69 ALDH1A1 (0.47) NOTUMMEN1KMT2AEGFRABCG2
SCHEMBL17260662 0.69 PDE3B (0.63) NOTUMMEN1KMT2AEGFRKDM4E
SCHEMBL17260649 0.69 PDE3B (0.63) NOTUMMEN1KMT2AEGFRKDM4E
SCHEMBL6603063 0.68 MAP2K1 (0.54) NOTUMMEN1KMT2AEGFRMAP2K1
SCHEMBL7278194 0.68 NOTUM (0.45) NOTUMNPC1RAB9AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 NOTUM 704/4885MEN1 4420/4885KMT2A 3081/4885
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 NOTUM 542/4885MEN1 1635/4885KMT2A 3421/4885

“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.