SCHEMBL4515757

SCHEMBL4515757

[NH]C(=O)C1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.48
PIN1 Q13526 1/20 0.47
BLM P54132 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
CRBN Q96SW2 4/20 0.46
IDO1 P14902 2/20 0.46
XBP1 P17861 1/20 0.46

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
SCHEMBL5609883 0.89 PIN1 (0.58) HTTPIN1TSHRCRBNIDO1
SCHEMBL29706163 0.84 HTT (0.54) HTTALDH1A1PIN1BLMMEN1
SCHEMBL29484110 0.84 HTT (0.54) HTTALDH1A1PIN1BLMMEN1
SCHEMBL2792830 0.84 HTT (0.54) HTTALDH1A1PIN1BLMMEN1
SCHEMBL242244 0.84 HTT (0.54) HTTALDH1A1PIN1BLMMEN1
SCHEMBL1567657 0.84 IDO1 (0.51) HTTALDH1A1PIN1BLMMEN1
SCHEMBL2796237 0.84 HTT (0.54) HTTALDH1A1PIN1BLMMEN1
SCHEMBL29608780 0.84 HTT (0.54) HTTALDH1A1PIN1BLMMEN1
SCHEMBL2448483 0.82 HTT (0.49) HTTALDH1A1PIN1BLMMEN1
Hydrochloric Acid SCHEMBL2999173 0.82 HTT (0.53) HTTALDH1A1PIN1BLMMEN1

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-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US claimed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 HTT 1131/4885ALDH1A1 2810/4885PIN1 1382/4885

“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.