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Sugi Predict / Compounds / SCHEMBL6694052

SCHEMBL6694052

SCHEMBL6694052

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.37
▸ GAA P10253 4/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ IMPDH2 P12268 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
SCHEMBL6696001 0.84 HTR2C (0.39) PKMGAAKMT2AHTR2CHTR2A
SCHEMBL6697020 0.83 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2HPGDIMPDH2
SCHEMBL6699406 0.79 PKM (0.41) PKMGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL6165678 0.79 GAA (0.49) PKMGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL6697051 0.78 GAA (0.52) PKMGAAKMT2AALOX5
SCHEMBL6695087 0.78 HTR3E (0.39) PKMGAAKMT2AHTR2CHTR2A
SCHEMBL6698722 0.78 MGAM (0.54) GAAKMT2AHPGDMEN1MAPT
SCHEMBL853777 0.77 GAA (0.43) PKMGAAKMT2AHTR2CHTR2A
SCHEMBL6170334 0.77 IMPDH2 (0.45) PKMGAAKMT2AIMPDH2
SCHEMBL6696915 0.77 GAA (0.43) PKMGAAKMT2AALOX5

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-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

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.