SCHEMBL6745168

SCHEMBL6745168

CC(C)Oc1ccc(Br)c(C(C)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ PARP10 Q53GL7 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ THRA P10827 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6742113 1.00 ALDH1A1 (0.44) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL6796164 0.83 ADRA2A (0.49) KMT2AMAPK1MEN1HPGD
SCHEMBL14691495 0.83 ADRA2A (0.49) KMT2AMAPK1MEN1HPGD
SCHEMBL6745102 0.80 MEN1 (0.47) ALDH1A1KMT2APARP10TP53MEN1
SCHEMBL6741564 0.80 MEN1 (0.47) ALDH1A1KMT2APARP10TP53MEN1
SCHEMBL9256790 0.78 ALDH1A1 (0.47) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL13265121 0.78 ALDH1A1 (0.44) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL31617906 0.77 ALDH1A1 (0.47) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL16481265 0.76 ALDH1A1 (0.46) ALDH1A1KMT2APARP10POLBBRD4
SCHEMBL6744558 0.74 ALDH1A1 (0.58) ALDH1A1KMT2APARP10POLBGLA

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 13 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
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 — — 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
EP-2374788-A1 INDANYL 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 ALDH1A1 2584/4885KMT2A 2928/4885PARP10 1685/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885KMT2A 4655/4885PARP10 2426/4885

“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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