SCHEMBL13257342

SCHEMBL13257342

O=Cc1ccc(O)c(C(c2cc(C=O)ccc2O)(c2cc(C=O)ccc2O)c2cc(C=O)ccc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.50
▸ ALDH5A1 P51649 3/20 0.50
▸ ABAT P80404 3/20 0.50
▸ TRIM24 O15164 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TRIM33 Q9UPN9 1/20 0.50
▸ AOX1 Q06278 1/20 0.46
▸ XDH P47989 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERN1 O75460 3/20 0.36
▸ TSHR P16473 1/20 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
SCHEMBL2732362 0.85 ALDH1A1 (0.54) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL856316 0.83 KDM4E (0.57) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL2632511 0.83 PTGS2 (0.57) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL29452390 0.83 KDM4E (0.57) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL30500661 0.83 PTGS2 (0.57) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL27872348 0.80 PTGS2 (0.53) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Hydrochloric Acid SCHEMBL18281037 0.79 PTGS2 (0.52) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL29198614 0.77 KDM4E (0.50) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL9512877 0.77 KDM4E (1.00) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL36350 0.77 KDM4E (1.00) KDM4EPTGS2RAB9AALDH1A1ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750190-B2 reacting hexamethylene tetramine in presence of acid; industrial scale; photoresists HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-07-06 — — US disclosed
US-20090182175-A1 METHOD FOR PRODUCING NEW POLYNUCLEAR POLY(FORMYLPHENOL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-07-16 — — 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 (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-20090182175-A1 METHOD FOR PRODUCING NEW POLYNUCLEAR POLY(FORMYLPHENOL) PCBP1, FPR2, PNKP KDM4E 4086/4885PTGS2 599/4885RAB9A 4858/4885

“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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