SCHEMBL2735992

SCHEMBL2735992

COC(=O)c1cc2cc(C=O)c(CO)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ MMP13 P45452 4/20 0.36

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
SCHEMBL2735982 0.82 XDH (0.45) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL2735981 0.81 XDH (0.49) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL2760138 0.81 XDH (0.45) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL2735993 0.74 ULK1 (0.41) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL2735983 0.73 XDH (0.40) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL6514221 0.71 XDH (0.57) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL8985848 0.71 ALOX15 (0.49) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL8985809 0.71 ALDH1A1 (0.47) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL668523 0.71 GPR35 (0.62) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL16090782 0.71 XDH (0.52) XDHKDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 — — US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 — — US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 — — US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 — — 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 (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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 XDH 3574/4885KDM4E 1123/4885ALDH1A1 4474/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 XDH 3206/4885KDM4E 2169/4885ALDH1A1 4720/4885

“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.

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