SCHEMBL14198043

SCHEMBL14198043

CC(C)=Cc1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 4/20 0.59
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2A6 P11509 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NOS3 P29474 2/20 0.45
▸ NOS1 P29475 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL17680495 0.83 FBP1 (0.56) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL2464948 0.80 ESR1 (0.46) FBP1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL18172883 0.79 FBP1 (0.57) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL2439472 0.79 FBP1 (0.57) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL231074 0.79 ALDH1A1 (0.60) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL4579424 0.79 AKR1C3 (0.62) FBP1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL3246531 0.79 AKR1C3 (0.62) FBP1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL18172881 0.79 FBP1 (0.57) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL20764492 0.79 AKR1C3 (0.62) FBP1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL2439471 0.79 FBP1 (0.57) FBP1ALDH1A1KDM4ELMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002663-A1 SELECTIVE SALMONELLA OR E. COLI CULTIVATION METHOD, COMPOSITIONS AND USES Solus Scientific Solutions Ltd (GB) 2022-01-06 — — US disclosed
US-20080096894-A1 Anti-Bacterial Compounds ASTON UNIVERSITY (GB) 2008-04-24 — — US disclosed
US-20080096894-A1 Anti-Bacterial Compounds ASTON UNIVERSITY (GB) 2008-04-24 — — 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-20080096894-A1 Anti-Bacterial Compounds MRPL21, PGLS, FOSB FBP1 350/4885ALDH1A1 3322/4885KDM4E 4026/4885

“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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