SCHEMBL6745102

SCHEMBL6745102

CCOc1ccc(Br)c(C(C)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NQO1 P15559 1/20 0.45
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 2/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6741564 1.00 MEN1 (0.47) MEN1KMT2AHTTNQO1AKR1C3
SCHEMBL16955896 0.82 NQO1 (0.45) MEN1KMT2AHTTNQO1AKR1C3
SCHEMBL6796164 0.81 ADRA2A (0.49) MEN1KMT2AHTTCYP3A4HPGD
SCHEMBL14691495 0.81 ADRA2A (0.49) MEN1KMT2AHTTCYP3A4HPGD
SCHEMBL30768511 0.81 MAOB (0.50) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL6745168 0.80 ALDH1A1 (0.44) MEN1KMT2AKDM4ETP53ALDH1A1
SCHEMBL6742113 0.80 ALDH1A1 (0.44) MEN1KMT2AKDM4ETP53ALDH1A1
SCHEMBL3743024 0.79 THRA (0.41) MEN1KMT2AHTTNQO1AKR1C3
SCHEMBL13263785 0.79 MEN1 (0.47) MEN1KMT2AHTTNQO1AKR1C3
SCHEMBL16956955 0.78 NQO1 (0.41) MEN1KMT2AHTTNQO1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 — — EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 — — US disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 — — US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 — — US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 — — US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 — — WO 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 MEN1 1659/4885KMT2A 2928/4885HTT 3708/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MEN1 2944/4885KMT2A 4655/4885HTT 3984/4885

“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.

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