SCHEMBL16552545

SCHEMBL16552545

O=Cc1cccc(-c2ccc(O)c(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.54
▸ HSD17B2 P37059 3/20 0.54
▸ TRIM24 O15164 1/20 0.50
▸ TRIM33 Q9UPN9 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ KIF11 P52732 1/20 0.46
▸ ERN1 O75460 6/20 0.45
▸ P4HB P07237 3/20 0.44
▸ AR P10275 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ APP P05067 1/20 0.39

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
SCHEMBL30679638 0.83 KIF11 (0.55) TRIM24TRIM33CA12CA1CA2
SCHEMBL856316 0.81 KDM4E (0.57) HSD17B1HSD17B2TRIM24TRIM33KIF11
SCHEMBL29452390 0.81 KDM4E (0.57) HSD17B1HSD17B2TRIM24TRIM33KIF11
SCHEMBL30861658 0.81 TRIM24 (0.46) TRIM24TRIM33CA12CA1CA2
SCHEMBL3831122 0.81 TRIM24 (0.46) TRIM24TRIM33CA12CA1CA2
SCHEMBL6618043 0.80 TRIM24 (0.46) HSD17B1HSD17B2TRIM24TRIM33CA12
SCHEMBL26704175 0.79 KIF11 (0.73) TRIM24TRIM33CA12CA1CA2
SCHEMBL29485676 0.79 HSD17B1 (0.65) HSD17B1HSD17B2KIF11ARAPP
SCHEMBL1938893 0.79 HSD17B1 (0.65) HSD17B1HSD17B2KIF11ARAPP
SCHEMBL6619511 0.79 HSD17B1 (0.59) HSD17B1HSD17B2TRIM24TRIM33CA12

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-20150072969-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS Piramal Enterprises Limited (IN) 2015-03-12 — — US disclosed
CN-104144920-A PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS PIRAMAL ENTPR LTD 2014-11-12 — — CN 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-20150072969-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS GPR55, GPR65, GPR35 HSD17B1 659/4885HSD17B2 1366/4885TRIM24 2476/4885

“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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