SCHEMBL17301337

SCHEMBL17301337

Cc1c(Cl)ccc2ncc(N)c(C(C)(C)O)c12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TNF P01375 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
SCHEMBL15819804 0.84 TNF (0.34) TNF
SCHEMBL15840579 0.78 TNF (0.36) TNF
SCHEMBL15840581 0.75 NR4A2 (0.34)
SCHEMBL15840575 0.72 CNR2 (0.34) TNF
SCHEMBL15819920 0.72 NR4A2 (0.49) ALDH1A1TNF
SCHEMBL15840576 0.72 PARP1 (0.38) TNF
SCHEMBL17278417 0.71 TNF (0.34) ALDH1A1TNF
SCHEMBL28412876 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15840577 0.67 NCF1 (0.43) ALDH1A1
SCHEMBL17278413 0.65 TNF (0.36) TNF

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604997-B2 Peri-carbinols ALDEYRA THERAPEUTICS, INC. (US) 2017-03-28 US disclosed
US-9604997-B2 Peri-carbinols ALDEYRA THERAPEUTICS, INC. (US) 2017-03-28 US disclosed
US-20150344432-A1 PERI-CARBINOLS Ricerca Biosciences, LLC 2015-12-03 US disclosed
US-20150344432-A1 PERI-CARBINOLS Ricerca Biosciences, LLC 2015-12-03 US disclosed
US-9005906-B2 Tetrahydropyran nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2015-04-14 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-20150344432-A1 PERI-CARBINOLS PLIN1, PLIN3, PLIN5 PDPK1 1368/4885ALDH1A1 476/4885TNF 407/4885

“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.