SCHEMBL6602969

SCHEMBL6602969

COc1ccc(CBr)c2c1OC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GLA P06280 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6604465 0.79 ALDH1A1 (0.33) KMT2AALDH1A1CASP1CASP7HSD17B10
SCHEMBL6837806 0.78 KMT2A (0.39) KMT2AALDH1A1CASP1CASP7HSD17B10
SCHEMBL6609896 0.74 LMNA (0.50) KMT2AALDH1A1HSD17B10MEN1KDM4E
SCHEMBL6607683 0.69 ALDH1A1 (0.43) KMT2AALDH1A1CASP1CASP7HSD17B10
SCHEMBL6837909 0.68 MAPT (0.47) KMT2AALDH1A1CASP1CASP7HSD17B10
SCHEMBL6837900 0.66 KMT2A (0.31) KMT2AMAPT
SCHEMBL30884171 0.66 AOC3 (0.53) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL4678057 0.66 AOC3 (0.53) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL1287466 0.66 HTR1A (0.37) GAAMAPTTSHRMAPK1HTT
SCHEMBL10889311 0.66 MEN1 (0.51) KMT2AALDH1A1MEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 EP disclosed
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US disclosed
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 KMT2A 1673/4885ALDH1A1 232/4885CASP1 1109/4885

“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.