SCHEMBL26311628

SCHEMBL26311628

C=C/C=C(/CC)c1cc(NC)ccc1C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL26318334 0.78 HPGD (0.30)
SCHEMBL26311730 0.75 PRSS1 (0.34)
SCHEMBL7073104 0.67 ALDH1A1 (0.35) ALDH1A1MEN1CYP3A4GAAKMT2A
SCHEMBL12852620 0.67 SMN1; SMN2 (0.42) KMT2A
SCHEMBL16488283 0.67 TERT (0.33)
SCHEMBL19187802 0.66 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL26544451 0.66 NR1H4 (0.50) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL10332053 0.66 SMN1; SMN2 (0.43) CYP1A2MEN1KMT2A
SCHEMBL14514331 0.66 CNR1 (0.37) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL14446719 0.65 HTT (0.38) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR ALDH1A1 4544/4885CYP1A2 3880/4885CYP2D6 3871/4885

“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.