SCHEMBL6048623

SCHEMBL6048623

COCOc1ccccc1-c1ccccc1OCOC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.49
HTR7 P34969 4/20 0.48
ADRB2 P07550 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
EGFR P00533 1/20 0.41
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 2/20 0.39
APP P05067 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL23092046 0.88 KCNN4 (0.43) KCNN4HTR7ADRB2EGFRPTPN1
SCHEMBL3185351 0.87 CA12 (0.48) KCNN4CA12CA1CA2CA4
SCHEMBL30741239 0.87 CA12 (0.48) KCNN4CA12CA1CA2CA4
SCHEMBL30741241 0.87 CA12 (0.48) KCNN4CA12CA1CA2CA4
SCHEMBL5840781 0.87 ADRB2 (0.60) HTR7ADRB2EGFRKDM4ETP53
SCHEMBL30604339 0.84 KCNN4 (0.46) KCNN4HTR7CA12CA1CA2
SCHEMBL3825898 0.84 ALDH1A1 (0.50) KCNN4HTR7ADRB2EGFRKDM4E
SCHEMBL10453409 0.81 KCNN4 (0.39) KCNN4HTR7ADRB2EGFRRAB9A
SCHEMBL27504574 0.81 KCNN4 (0.39) KCNN4HTR7ADRB2EGFRKDM4E
SCHEMBL31360728 0.81 CA1 (0.62) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950979-B2 Method for producing asymmetrical biphenols using selenium dioxide EVONIK DEGUSSA GMBH (DE) 2018-04-24 US disclosed
US-9950979-B2 Method for producing asymmetrical biphenols using selenium dioxide EVONIK DEGUSSA GMBH (DE) 2018-04-24 US disclosed
US-20170204031-A1 METHOD FOR PRODUCING ASYMMETRICAL BIPHENOLS USING SELENIUM DIOXIDE EVONIK DEGUSSA GMBH (DE) 2017-07-20 US disclosed
US-20170204031-A1 METHOD FOR PRODUCING ASYMMETRICAL BIPHENOLS USING SELENIUM DIOXIDE EVONIK DEGUSSA GMBH (DE) 2017-07-20 US disclosed
US-7151070-B2 Chiral catalyst, process for preparing the same and its use in the oxidate coupling of naphthols CHENGDU INSTITUTE OF ORGANIC CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2006-12-19 US disclosed
US-20050256345-A1 Chiral catalyst, process for preparing the same and its use in the oxidate coupling of naphthols CHENGDU INSTITUTE OF ORGANIC CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2005-11-17 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-20170204031-A1 METHOD FOR PRODUCING ASYMMETRICAL BIPHENOLS USING SELENIUM DIOXIDE SELENOI, SCLY, GPX4 KCNN4 1265/4885HTR7 2195/4885ADRB2 2861/4885
US-20050256345-A1 Chiral catalyst, process for preparing the same and its use in the oxidate coupling of naphthols BCAT2, BCAT1, NDUFV2 KCNN4 3196/4885HTR7 3710/4885ADRB2 1067/4885

“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.