SCHEMBL18878387

SCHEMBL18878387

COc1cc(C(=O)C(C)C)ccc1CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
DBH P09172 1/20 0.46
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL13889418 0.87 KMT2A (0.51) GAAKMT2AMEN1ALDH1A1
SCHEMBL8251185 0.86 MAPT (0.54) KDM4EGAACYP1A2CYP3A4CYP2C9
SCHEMBL10130619 0.86 MAPK1 (0.55) GAACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3904758 0.82 HSD17B2 (0.62) KDM4EGAACYP1A2CYP3A4TSHR
SCHEMBL758674 0.81 TSHR (0.66) KDM4EGAADBHRECQLCYP1A2
SCHEMBL6835992 0.78 MEN1 (0.68) KDM4EGAADBHRECQLCYP1A2
SCHEMBL19769118 0.78 TAS1R3 (0.52) KDM4EGAADBHRECQLCYP1A2
SCHEMBL18878380 0.78 KDM4E (0.50) KDM4EGAADBHRECQLKMT2A
SCHEMBL12780302 0.77 RAB9A (0.49) KDM4EGAADBHRECQLCYP1A2
SCHEMBL27056373 0.77 KDM4E (0.49) KDM4EGAADBHRECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 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-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 KDM4E 1647/4885GAA 1762/4885DBH 312/4885

“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.