SCHEMBL19196064

SCHEMBL19196064

Cc1ccc2cc(/C=C/C(=O)c3ccc(C(=O)O)cc3)c(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAOB P27338 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ CDC25A P30304 1/20 0.40
▸ TP53 P04637 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
SCHEMBL19196312 0.91 MAPT (0.49) MIFMAPTGAAMAOBCYP1B1
SCHEMBL19196314 0.86 MAOB (0.42) MIFMAPTGAAMAOBMAOA
SCHEMBL17525293 0.82 MAPT (0.61) MAPTGAAMAOBTP53ALDH1A1
SCHEMBL17037974 0.82 HSD11B1 (0.47) MIFMAPTGAAMAOBMAOA
SCHEMBL19196313 0.79 MAPT (0.58) MAPTMAOBMAOAALDH1A1MEN1
SCHEMBL22331118 0.79 CDC25A (0.62) MIFMAPTGAAMAOBMAOA
SCHEMBL22331115 0.79 CDC25A (0.62) MIFMAPTGAAMAOBMAOA
SCHEMBL19196315 0.77 MAOB (0.45) MIFMAPTMAOBMAOATP53
SCHEMBL17525289 0.74 MAOB (0.64) MAPTGAAMAOBTP53ALDH1A1
SCHEMBL13478603 0.73 MAPT (0.43) MAPTGAAMAOBMAOAALDH1A1

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-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS BAYLOR COLLEGE OF MEDICINE (US) 2017-08-03 — — 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-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS SQOR, TXN2, TXNRD1 MIF 598/4885MAPT 1297/4885GAA 1701/4885

“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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