SCHEMBL1388008

SCHEMBL1388008

COc1cccc(COc2ccccc2C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.59
ABCB1 P08183 3/20 0.59
HTR1A P08908 2/20 0.59
DRD2 P14416 2/20 0.59
VDR P11473 1/20 0.58
LRRK2 Q5S007 1/20 0.57
RAB9A P51151 3/20 0.55
MAOB P27338 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SLC1A5 Q15758 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PTGER1 P34995 1/20 0.53
APEX1 P27695 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL8980573 0.94 LRRK2 (0.54) MRGPRX4ABCB1HTR1ADRD2VDR
SCHEMBL1097263 0.89 MRGPRX4 (0.56) MRGPRX4ABCB1HTR1ADRD2VDR
SCHEMBL5839701 0.89 ABCB1 (0.58) MRGPRX4ABCB1VDRLRRK2RAB9A
SCHEMBL7907533 0.88 MAOB (0.62) MRGPRX4ABCB1HTR1ADRD2RAB9A
SCHEMBL5839266 0.87 FFAR1 (0.56) MRGPRX4RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL1646693 0.85 LRRK2 (0.69) MRGPRX4LRRK2MAOBPTGER1KDM4E
SCHEMBL6404086 0.84 HDAC8 (0.60) MRGPRX4LRRK2RAB9AMAOBSMN1; SMN2
SCHEMBL31550547 0.84 HDAC8 (0.60) MRGPRX4LRRK2RAB9AMAOBSMN1; SMN2
SCHEMBL1388037 0.84 RXRA (0.60) ABCB1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL1647498 0.83 FOLH1 (0.63) MRGPRX4LRRK2RAB9AMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09500883-A 1997-01-28 JP claimed
CN-1132508-A Piperazine derivatives REORDATI IND CHIMICA E FARMACE (CH) 1996-10-02 CN claimed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP claimed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO claimed
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP disclosed
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 MRGPRX4 53/4885ABCB1 1271/4885HTR1A 781/4885

“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.