SCHEMBL9225176

SCHEMBL9225176

COc1cc(C(=O)O)c2cccc(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.51
▸ KDM4E B2RXH2 7/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ POLB P06746 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ AKR1C3 P42330 2/20 0.45
▸ AKR1C2 P52895 2/20 0.45
▸ PDE10A Q9Y233 1/20 0.45
▸ NOTUM Q6P988 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ APEX1 P27695 1/20 0.43

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
SCHEMBL13635146 0.86 CDC25B (0.40) CDC25BKDM4EALDH1A1POLBHPGD
SCHEMBL29082491 0.84 KDM4E (0.56) CDC25BKDM4EALDH1A1POLBHPGD
SCHEMBL30628896 0.84 KDM4E (0.56) CDC25BKDM4EALDH1A1POLBHPGD
SCHEMBL16432815 0.78 KDM4E (0.52) CDC25BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1162404 0.77 CDC25B (0.80) CDC25BKDM4EALDH1A1POLBHPGD
SCHEMBL13634931 0.77 MAPT (0.36) CDC25BKDM4EALDH1A1POLBHPGD
SCHEMBL10889935 0.75 CDC25B (0.78) CDC25BKDM4EALDH1A1POLBHPGD
SCHEMBL3197711 0.75 ALDH1A1 (0.61) CDC25BKDM4EALDH1A1POLBHPGD
SCHEMBL6916951 0.73 ALDH1A1 (0.59) CDC25BKDM4EALDH1A1POLBHPGD
SCHEMBL6915569 0.73 ALDH1A1 (0.59) CDC25BKDM4EALDH1A1POLBHPGD

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
JP-7149750-A — — None — — JP disclosed
EP-1858836-B1 ANALOGUES OF THE AZINOMYCINS AS ANTI-TUMOUR AGENTS AND AS PRODRUGS UNIV BRADFORD (GB) 2009-11-18 — — EP disclosed
US-20090233966-A1 Analogues of the Azinomycins as Anti-Tumour Agents and as Prodrugs SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2009-09-17 — — US disclosed
US-20090233966-A1 Analogues of the Azinomycins as Anti-Tumour Agents and as Prodrugs SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2009-09-17 — — US disclosed
JP-H07149750-A CARCINOSTATIC AGENT CONTAINING 3-METHOXY-5-METHYLNAPHTHALENE-1-CARBOXYLIC ACID ESTER DERIVATIVE AS ACTIVE INGREDIENT SAGAMI CHEM RES CENTER 1995-06-13 — — JP 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-20090233966-A1 Analogues of the Azinomycins as Anti-Tumour Agents and as Prodrugs CYP1B1, AZI2, ECI1 CDC25B 366/4885KDM4E 993/4885ALDH1A1 486/4885

“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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