SCHEMBL2629434

SCHEMBL2629434

Cc1cccc(C#CC(C)(C)O)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.49
ASIC3 Q9UHC3 1/20 0.44
FFAR1 O14842 4/20 0.43
HAO1 Q9UJM8 1/20 0.42
ACHE P22303 2/20 0.41
MAP3K14 Q99558 1/20 0.40
EGFR P00533 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
MAPT P10636 1/20 0.38

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
Bicarbonate SCHEMBL28541060 0.93 FFAR1 (0.49) GRM5ASIC3FFAR1HAO1MAP3K14
SCHEMBL11443850 0.88 HAO1 (0.46) ASIC3HAO1MAP3K14EGFRMAPT
SCHEMBL29116860 0.84 GRM5 (0.42) GRM5ASIC3FFAR1HAO1ACHE
SCHEMBL2811570 0.81 GRM5 (0.44) GRM5ASIC3FFAR1HAO1ACHE
SCHEMBL24506081 0.79 HAO1 (0.41) ASIC3HAO1MAP3K14EGFRMAPT
SCHEMBL1477501 0.79 KCNH2 (0.50) GRM5ASIC3HAO1MAP3K14EGFR
SCHEMBL13692775 0.79 FFAR1 (0.42) ASIC3FFAR1HAO1MAP3K14EGFR
SCHEMBL30092382 0.79 MAP3K14 (0.45) ASIC3FFAR1HAO1MAP3K14EGFR
SCHEMBL1795798 0.79 PDK1 (0.43) GRM5ASIC3FFAR1HAO1MAP3K14
SCHEMBL471131 0.79 MAP3K14 (0.45) ASIC3FFAR1HAO1MAP3K14EGFR

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-20120095228-A1 METHOD FOR THE PREPARATION OF ERLOTINIB F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-04-19 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-20120095228-A1 METHOD FOR THE PREPARATION OF ERLOTINIB EGFR, ABL1, ERBB2 GRM5 2904/4885ASIC3 4089/4885FFAR1 2886/4885

“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.