SCHEMBL19123760

SCHEMBL19123760

C/C=C(N)\C(=C/C)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL16411011 0.84 ALDH1A1 (0.31) ALDH1A1MAPTHPGDRECQL
SCHEMBL10500046 0.82 ALDH1A1 (0.36) ALDH1A1MAPTHPGDRECQLKEAP1
SCHEMBL6378778 0.81
SCHEMBL3358239 0.81
SCHEMBL2474496 0.81 ALDH1A1 (0.43) ALDH1A1MAPTHPGDRECQLKEAP1
SCHEMBL18594806 0.81 ALDH1A1 (0.33) ALDH1A1RECQL
Hydrochloric Acid SCHEMBL27994744 0.79
SCHEMBL10971698 0.76 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRECQLKEAP1
SCHEMBL11551158 0.74 ALDH1A1 (0.43) ALDH1A1MAPTHPGDRECQLKEAP1
SCHEMBL9397762 0.74 ALDH1A1 (0.43) ALDH1A1MAPTHPGDRECQLKEAP1

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-9757369-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-09-12 US disclosed
US-20170196850-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-07-13 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ALDH1A1 1943/4885MAPT 845/4885HPGD 980/4885
US-20170196850-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP ALDH1A1 3820/4885MAPT 326/4885HPGD 2265/4885

“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.