SCHEMBL19203494

SCHEMBL19203494

CC(=O)/C(C#N)=C/c1cc2ccc(C)cc2oc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ BLM P54132 1/20 0.40
▸ MAOB P27338 4/20 0.38
▸ MIF P14174 3/20 0.38
▸ GAA P10253 4/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37

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
SCHEMBL19196066 0.89 MAPT (0.53) MAPTKMT2AALDH1A1MEN1HSD11B1
SCHEMBL17037974 0.75 HSD11B1 (0.47) MAPTKMT2AALDH1A1MEN1HSD11B1
SCHEMBL19196345 0.74 ALDH1A1 (0.46) MAPTKMT2AALDH1A1MEN1HSD11B1
SCHEMBL5288407 0.73 ALDH1A1 (0.60) MAPTKMT2AALDH1A1MEN1HSD11B1
SCHEMBL24803036 0.72 SLC16A3 (0.43) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL17903507 0.72 MEN1 (0.62) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL30361083 0.72 MEN1 (0.62) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL28409979 0.72 MEN1 (0.62) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL17525295 0.71 MEN1 (0.61) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL19506951 0.71 MEN1 (0.60) MAPTKMT2AALDH1A1MEN1LMNA

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-10921327-B2 Probes for quantitative imaging of thiols in various environments BAYLOR COLLEGE OF MEDICINE (US) 2021-02-16 — — US disclosed
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 (2 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-10921327-B2 Probes for quantitative imaging of thiols in various environments SQOR, TXN2, TXNRD1 MAPT 1297/4885KMT2A 3943/4885ALDH1A1 533/4885
US-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS SQOR, TXN2, TXNRD1 MAPT 1297/4885KMT2A 3943/4885ALDH1A1 533/4885

“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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