SCHEMBL25782332

SCHEMBL25782332

CC(=O)Cc1cc(F)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 9/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA3 P07451 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B1 P14061 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
SCHEMBL14263434 0.82 RIPK1 (0.47) ANO1CYP3A4MAPTCA3CA6
SCHEMBL2443894 0.82 AKR1B1 (0.55) ANO1LMNAMAPTKDM4EHSD17B10
SCHEMBL27884951 0.81 ANO1 (0.43) ANO1PKMLMNAMAPTHTT
SCHEMBL1405167 0.81 IAPP (0.50) ANO1PKMLMNAMAPTXBP1
SCHEMBL9982981 0.81 ANO1 (0.39) ANO1PKMLMNAMAPTHTT
SCHEMBL13943174 0.81 CYP3A4 (0.43) CYP3A4PKMLMNAMAPTL3MBTL1
SCHEMBL24097694 0.80 EGFR (0.55) ANO1MAPTHTTKDM4ETP53
SCHEMBL11606598 0.80 EGFR (0.50) CYP3A4PKMMAPTTP53ALOX15
SCHEMBL364672 0.79 ESR1 (0.53) PKMLMNAMAPTHTTKDM4E
SCHEMBL19290104 0.79 P2RX7 (0.45) ANO1CYP3A4MAPTHTTKDM4E

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-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 — — 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-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 ANO1 4736/4885CYP3A4 4730/4885PKM 2949/4885

“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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