SCHEMBL3688296

SCHEMBL3688296

CCOc1cc(/C=C/C(=O)O)ccc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.77
▸ ALDH1A1 P00352 4/20 0.77
▸ HPGD P15428 3/20 0.77
▸ SMN1; SMN2 Q16637 2/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ ALOX15 P16050 1/20 0.77
▸ MAPK1 P28482 1/20 0.77
▸ KMT2A Q03164 3/20 0.73
▸ GAA P10253 1/20 0.73
▸ LMNA P02545 2/20 0.70
▸ POLB P06746 1/20 0.70
▸ SNCA P37840 2/20 0.69
▸ MAPT P10636 2/20 0.66
▸ NPC1 O15118 1/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ PDE4A P27815 1/20 0.65
▸ PDE4B Q07343 1/20 0.65
▸ PDE4C Q08493 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ PKM P14618 2/20 0.64

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
SCHEMBL3688297 1.00 KDM4E (0.77) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30966315 0.94 KDM4E (0.80) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3690899 0.94 KDM4E (0.80) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3690896 0.94 KDM4E (0.80) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4623922 0.92 KDM4E (0.84) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7247313 0.92 KDM4E (0.84) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30739528 0.92 KDM4E (0.84) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL13168878 0.90 KDM4E (0.79) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL25306695 0.89 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7966753 0.89 KDM4E (0.74) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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
US-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 — — US disclosed
EP-1781303-A4 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX INC (US) 2008-07-02 — — EP disclosed
EP-1781303-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS CombinatoRx, Incorporated (US) 2007-05-09 — — EP disclosed
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2006-03-30 — — US disclosed
WO-2006004803-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX, INCORPORATED (US) 2006-01-12 — — WO disclosed
US-4337270-A ANTIALLERGENS; ANTIANAPHYLACTIC AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1982-06-29 — — US disclosed
US-4026896-A ANTIALLERGENS KISSEI YAKUHIN KOGYO KABUSHIKI KAISHA (KISSEI PHARMACEUTICAL CO. LTD.) (JA) 1977-05-31 — — 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-20060069161-A1 Methods and reagents for the treatment of metabolic disorders LIPC, PNLIP, GOT2 KDM4E 3045/4885ALDH1A1 626/4885HPGD 1593/4885

“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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