SCHEMBL17329402

SCHEMBL17329402

C=Cc1ccccc1C(N)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ PDE2A O00408 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL17329423 0.82 ALDH1A1 (0.39) ALDH1A1
SCHEMBL31733666 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL1536702 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9960123 0.77 ALDH1A1 (0.44) ALDH1A1
SCHEMBL19237098 0.74 ALDH1A1 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL19445276 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1076557 0.74 ALDH1A1 (0.41) ALDH1A1
SCHEMBL28638236 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6281523 0.73 ALDH1A1 (0.44) ALDH1A1SLC6A2
SCHEMBL56243 0.73 GABRA1 (0.44) ALDH1A1SLC6A2

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-9783671-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on unsaturated polyesters Fachhochschule Münster (DE) 2017-10-10 — — US claimed
US-9783671-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on unsaturated polyesters Fachhochschule Münster (DE) 2017-10-10 — — US disclosed
US-20150361259-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTIMICROBIAL EFFECT BASED ON UNSATURATED POLYESTERS Fachhochschule Münster (DE) 2015-12-17 — — 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-20150361259-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTIMICROBIAL EFFECT BASED ON UNSATURATED POLYESTERS PUF60, FASN, ALOX5 ALDH1A1 331/4885PDE2A 4458/4885SLC6A2 4354/4885

“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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