SCHEMBL170824

SCHEMBL170824

CCC(CC)N(C)CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
SLC2A1 P11166 1/20 0.33
PIK3CD O00329 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL19699916 0.86 ALDH1A1 (0.39) ALDH1A1SLC2A1
SCHEMBL24515014 0.82 SLC2A1 (0.32) SLC2A1
SCHEMBL19733381 0.79 ALDH1A1 (0.34) ALDH1A1PIK3CDTRPM8
SCHEMBL16549273 0.78 PIK3CD (0.32) PIK3CD
SCHEMBL21302008 0.75 ALDH1A1 (0.32) ALDH1A1PIK3CD
SCHEMBL20835190 0.75 PLA2G1B (0.42)
SCHEMBL408513 0.75 ALDH1A1 (0.39) ALDH1A1PIK3CD
SCHEMBL12725369 0.75 SLC2A1 (0.36) SLC2A1
SCHEMBL21283111 0.74 MAOB (0.33)
SCHEMBL22823681 0.73 PLA2G1B (0.41)

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-20210292323-A1 Quinolone Derivatives as Fibroblast Growth Factor Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2021-09-23 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP 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-20210292323-A1 Quinolone Derivatives as Fibroblast Growth Factor Inhibitors FGFR1, FGFR3, FGFR2 ALDH1A1 938/4885SLC2A1 3343/4885PIK3CD 370/4885

“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.