SCHEMBL10276946

SCHEMBL10276946

COc1cc(OC)c(C(=O)P(c2ccccc2)c2ccccc2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
NQO1 P15559 1/20 0.42
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL27509965 0.87 CYP3A4 (0.48) CYP3A4KMT2AMAPTTP53ATM
SCHEMBL28923145 0.87 CYP3A4 (0.48) CYP3A4KMT2AMAPTTP53ATM
SCHEMBL274749 0.85 CA12 (0.58) KMT2ASMN1; SMN2ALDH1A1LMNACA12
SCHEMBL11127426 0.84 POLB (0.44) CYP3A4KMT2AMAPTATMSMN1; SMN2
Water SCHEMBL28149429 0.83 CA12 (0.56) KMT2ASMN1; SMN2ALDH1A1LMNACA12
SCHEMBL9789308 0.80 ABCG2 (0.37) CYP3A4KMT2AMAPTTP53ATM
SCHEMBL11123705 0.80 CYP3A4 (0.43) CYP3A4KMT2AMAPTTP53ATM
SCHEMBL21525444 0.77 CA12 (0.38) KMT2AMAPTATMHSD17B10SMN1; SMN2
SCHEMBL21525442 0.77 ALDH1A1 (0.43) KMT2AMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL14272588 0.76 CA12 (0.51) CYP3A4KMT2AMAPTATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995637-B1 Coating composition for wood finishing SHERWIN WILLIAMS DEUTSCHLAND GMBH (DE) 2019-11-06 EP claimed
US-8727522-B2 Ultraviolet crosslinking ink and inkjet recording method RICOH COMPANY, LTD. (JP) 2014-05-20 US disclosed
US-8507727-B2 Method for producing cyclohexyl alkyl ketones MITSUBISHI GAS CHEMCIAL COMPANY, INC. (JP) 2013-08-13 US disclosed
EP-2479163-A1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES Mitsubishi Gas Chemical Company, Inc. (JP) 2012-07-25 EP disclosed
US-20120176456-A1 ULTRAVIOLET CROSSLINKING INK AND INKJET RECORDING METHOD RICOH COMPANY, LTD., (JP) 2012-07-12 US disclosed
US-20120178970-A1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-12 US disclosed
EP-0040721-B1 ACYL PHOSPHINE COMPOUNDS AND THEIR APPLICATION BASF Aktiengesellschaft (DE) 1984-03-21 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-20120178970-A1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES HACL2, ALKBH3, HSD17B7 CYP3A4 123/4885KMT2A 914/4885MAPT 3378/4885

“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.