SCHEMBL6502438

SCHEMBL6502438

Oc1c(C(F)(F)F)cc(-c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.48
▸ CRHR2 Q13324 2/20 0.48
▸ LDHA P00338 2/20 0.47
▸ KIF11 P52732 2/20 0.46
▸ ERN1 O75460 5/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ AR P10275 3/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ PGR P06401 1/20 0.40

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
SCHEMBL27546220 0.79 HSD17B1 (0.60) KIF11ARHSD17B1HSD17B2MMP3
SCHEMBL26373459 0.78 KIF11 (0.46) LDHAKIF11HDAC6AR
SCHEMBL28678059 0.78 KIF11 (0.46) LDHAKIF11HDAC6AR
SCHEMBL28674664 0.78 KIF11 (0.46) LDHAKIF11HDAC6
Benzene SCHEMBL29148570 0.78 CA2 (0.74) CRHBPCRHR2CA1CA2
SCHEMBL426214 0.78 CA2 (0.74) CRHBPCRHR2CA1CA2
SCHEMBL1864159 0.77 CNR2 (0.39) CRHBPCRHR2LDHAERN1AR
SCHEMBL13840641 0.77 CA2 (0.71) CRHBPCRHR2CA1CA2MMP3
SCHEMBL28440862 0.76 BACE1 (0.49) KIF11HDAC6AKR1C2AKR1C1AR
SCHEMBL4779653 0.76 RXRA (0.58) LDHAKIF11HDAC6ARALOX5

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-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 — — 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA CRHBP 1604/4885CRHR2 470/4885LDHA 4030/4885

“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.

Send feedback