SCHEMBL3142013

SCHEMBL3142013

O=C(O)c1ccccc1COc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.56
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.55
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
FFAR1 O14842 3/20 0.53
FFAR4 Q5NUL3 3/20 0.53
FOLH1 Q04609 2/20 0.52
PTPRC P08575 1/20 0.51
PTPN1 P18031 1/20 0.51
NR4A2 P43354 2/20 0.51
PARP10 Q53GL7 1/20 0.50
OPRL1 P41146 1/20 0.48
AKR1C3 P42330 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46

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
SCHEMBL1368181 0.88 TP53 (0.63) MRGPRX4ALDH1A1TP53HTTFOLH1
SCHEMBL1760344 0.85 TP53 (0.56) MRGPRX4ALDH1A1TP53HTTFFAR1
SCHEMBL5988399 0.84 TP53 (0.56) MRGPRX4ALDH1A1TP53HTTFFAR1
SCHEMBL29215741 0.84 HCAR2 (0.59) MRGPRX4TP53HTTFFAR1FFAR4
SCHEMBL28307883 0.84 TP53 (0.55) MRGPRX4ALDH1A1TP53HTTFOLH1
SCHEMBL9129350 0.84 RXRA (0.54) MRGPRX4ALDH1A1RXRARXRBFFAR1
SCHEMBL490469 0.83 MRGPRX4 (0.62) MRGPRX4ALDH1A1TP53HTTFOLH1
SCHEMBL3134818 0.83 SLC6A3 (0.52) ALDH1A1FFAR1FFAR4PTPRCPTPN1
SCHEMBL10920832 0.83 PTGES (0.51) MRGPRX4ALDH1A1TP53HTTRXRA
SCHEMBL9127513 0.83 MRGPRX4 (0.51) MRGPRX4ALDH1A1TP53HTTRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0069810-B1 NOVEL DIBENZOXEPINS, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THE USE OF DIBENZOXEPINS IN THE TREATMENT OF ALLERGIC CONDITIONS MERCK & CO. INC. (US) 1986-12-03 EP claimed
EP-2067777-B1 OXEPIN DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
US-8222419-B2 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-20100004456-A1 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2067777-A1 OXEPIN DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-06-10 EP disclosed
EP-0069810-B1 NOVEL DIBENZOXEPINS, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THE USE OF DIBENZOXEPINS IN THE TREATMENT OF ALLERGIC CONDITIONS MERCK & CO. INC. (US) 1986-12-03 EP disclosed
US-4596804-A ANTIALLERGENS KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-06-24 US disclosed
EP-0130555-A2 Dibenz (b,e) oxepin derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-09 EP disclosed
EP-0069810-A1 Novel dibenzoxepins, their preparation, compositions containing them and the use of dibenzoxepins in the treatment of allergic conditions MERCK & CO. INC. (US) 1983-01-19 EP disclosed
US-4282365-A Dibenz[b,e]oxepin compounds MERCK & CO., INC. (US) 1981-08-04 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-20100004456-A1 Oxepin derivative HRH4, HRH3, HCRTR2 MRGPRX4 237/4885ALDH1A1 2881/4885TP53 4863/4885

“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.