SCHEMBL4192407

SCHEMBL4192407

COc1cc(C(C(=O)O)C(=O)O)ccc1C1OCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
BLM P54132 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.40
AKR1C3 P42330 7/20 0.38
AKR1C2 P52895 7/20 0.38
LDHA P00338 1/20 0.36
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL1704771 0.84 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3505777 0.78 SRC (0.35) TSHRAKR1C3AKR1C2HIF1A
SCHEMBL5025148 0.75 ACHE (0.63) NPSR1BLMTSHRACHELDHA
SCHEMBL27438368 0.72 ACHE (0.48) NPSR1ACHENPC1RAB9AALDH1A1
SCHEMBL25385031 0.72 LTB4R (0.55) TSHRAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL30574892 0.72 LTB4R (0.55) TSHRAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL2934366 0.72 SRC (0.46) NPC1RAB9AHTTALDH1A1
SCHEMBL15783792 0.72 ACHE (0.44) ACHENPC1RAB9AHTTALDH1A1
SCHEMBL25385791 0.71 FFAR1 (0.43) LDHALTB4RLTB4R2NPC1RAB9A
SCHEMBL30574747 0.71 FFAR1 (0.43) LDHALTB4RLTB4R2NPC1RAB9A

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-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 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-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 NPSR1 133/4885BLM 3654/4885TSHR 843/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 NPSR1 136/4885BLM 3705/4885TSHR 1212/4885

“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.