SCHEMBL2177328

SCHEMBL2177328

COC(=O)c1cc(OCC(C)C)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.50
XDH P47989 1/20 0.49
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
GCK P35557 1/20 0.47
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.43
FABP1 P07148 1/20 0.43
PLA2G2A P14555 1/20 0.43
KDM4E B2RXH2 3/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
KAT6A Q92794 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2175919 0.94 XDH (0.50) NR1H4XDHRARARARBRARG
SCHEMBL17060023 0.90 NR1H4 (0.54) NR1H4XDHRARARARBRARG
SCHEMBL4276418 0.87 PLA2G2A (0.54) NR1H4XDHRARARARBRARG
SCHEMBL2175928 0.85 CYP2C9 (0.51) NR1H4RARARARBRARGGCK
SCHEMBL2650533 0.84 CA12 (0.58) NR1H4XDHRARARARBRARG
SCHEMBL14812140 0.84 RARA (0.49) NR1H4RARARARBRARGGCK
SCHEMBL16950751 0.83 XDH (0.45) NR1H4XDHRARARARBRARG
SCHEMBL5218694 0.82 PLA2G2A (0.50) NR1H4TSHRPLA2G2AKDM4EKDM6B
SCHEMBL10068564 0.82 XDH (0.44) NR1H4XDHRARARARBRARG
SCHEMBL27584673 0.81 TPMT (0.52) NR1H4XDHRARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102958912-B Benzohydrol derivatives, a preparation process and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2015-01-14 CN disclosed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
CN-102372653-A Diphenyl methanol derivative, preparation method thereof and application of diphenyl methanol derivative in medicine JIANGSU HENGRUI MEDICINE CO 2012-03-14 CN disclosed
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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 (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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 NR1H4 4525/4885XDH 1342/4885RARA 3832/4885

“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.