SCHEMBL6329342

SCHEMBL6329342

COc1cc2oc(C(=O)O)cc(=O)c2cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ AKR1B1 P15121 1/20 0.49
▸ GPR35 Q9HC97 5/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ CSNK2A3 Q8NEV1 1/20 0.48
▸ KCNH2 Q12809 2/20 0.47
▸ MCHR1 Q99705 2/20 0.47
▸ CYP2C19 P33261 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ACHE P22303 4/20 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
SCHEMBL19744010 0.94 KDM4E (0.58) KDM4EALDH1A1AKR1B1GPR35USP2
SCHEMBL5560761 0.88 KDM4E (0.64) KDM4EALDH1A1AKR1B1GPR35USP2
SCHEMBL5564628 0.84 KDM4E (0.61) KDM4EALDH1A1AKR1B1USP2CSNK2A2
SCHEMBL6331783 0.83 AKR1B1 (0.58) KDM4EALDH1A1AKR1B1GPR35USP2
SCHEMBL6329297 0.83 KDM4E (0.58) KDM4EALDH1A1AKR1B1USP2CSNK2A2
SCHEMBL6331400 0.78 AKR1B1 (0.50) KDM4EALDH1A1AKR1B1GPR35USP2
SCHEMBL6332065 0.78 ALDH1A1 (0.59) KDM4EALDH1A1AKR1B1GPR35USP2
SCHEMBL6333731 0.78 AKR1B1 (0.53) KDM4EALDH1A1AKR1B1GPR35USP2
SCHEMBL6331382 0.77 MCHR1 (0.52) KCNH2MCHR1TP53ACHEALOX5
SCHEMBL6331379 0.76 MCHR1 (0.60) KCNH2MCHR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 — — 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-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R KDM4E 2305/4885ALDH1A1 1308/4885AKR1B1 1927/4885

“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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