SCHEMBL6697744

SCHEMBL6697744

CCOC(=O)CC(c1ccc[nH]1)c1c[nH]c2cc(O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
GAA P10253 7/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK10 P53779 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MGAM O43451 4/20 0.36
SI P14410 4/20 0.36
MGAM2 Q2M2H8 4/20 0.36
ALOX5 P09917 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL6165678 0.86 GAA (0.49) PKMGAAKMT2AKDM4EALDH1A1
SCHEMBL6696489 0.85 ALDH1A1 (0.49) KMT2AALDH1A1MEN1LMNAHPGD
SCHEMBL6699406 0.84 PKM (0.41) PKMGAAKMT2AKDM4EALDH1A1
SCHEMBL6698286 0.84 GAA (0.40) PKMGAAKMT2AKDM4EALDH1A1
SCHEMBL6697051 0.83 GAA (0.52) PKMGAAKMT2AMGAMSI
SCHEMBL6695205 0.82 GAA (0.57) PKMGAAKMT2AKDM4EALDH1A1
SCHEMBL6694980 0.82 GAA (0.47) PKMGAAKMT2AKDM4EALDH1A1
SCHEMBL6170334 0.82 IMPDH2 (0.45) PKMGAAKMT2AMGAMSI
SCHEMBL6696915 0.82 GAA (0.43) PKMGAAKMT2AMGAMSI
SCHEMBL6692536 0.81 GAA (0.53) PKMGAAKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1214026-C Indol-3-yl derivatives MERCK PATENT GMBH (DE) 2005-08-10 CN disclosed
US-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 US disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 US disclosed
CN-1398264-A Indol-3-yl derivatives MERCK PATENT GMBH (DE) 2003-02-19 CN disclosed
EP-1254133-A2 INDOL-3-YL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-06 EP disclosed
WO-2001058893-A2 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2001-08-16 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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 PKM 2594/4885GAA 3469/4885KMT2A 3700/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R PKM 2293/4885GAA 3882/4885KMT2A 4116/4885

“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.