SCHEMBL19501289

SCHEMBL19501289

CC(=O)CCc1cccc(CBr)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.62
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ IAPP P10997 1/20 0.44
▸ PTPRB P23467 1/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ PTEN P60484 1/20 0.41
▸ PTPMT1 Q8WUK0 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41

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
SCHEMBL18768957 0.92 ALDH1A1 (0.72) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL10750775 0.85 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL3242805 0.85 KEAP1 (0.61) ALDH1A1SLC6A3SMN1; SMN2PTPRBCDC25A
SCHEMBL19501287 0.85 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL4234560 0.83 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL22047275 0.83 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL15504948 0.82 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP4F2CYP4A11TRPA1
SCHEMBL15504971 0.82 SIRT2 (0.51) ALDH1A1KDM4ELMNACYP4F2CYP4A11
Hydrochloric Acid SCHEMBL13736635 0.81 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL2027905 0.81 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AMAPTKDM4E

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-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 — — 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-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA ALDH1A1 991/4885NPC1 795/4885RAB9A 2636/4885

“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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