SCHEMBL1338588

SCHEMBL1338588

CC(C)CN(CC(C)C)C(C)(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MLYCD O95822 1/20 0.31

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
SCHEMBL6740129 0.79 ALDH1A1 (0.33) ALDH1A1MLYCD
SCHEMBL7940758 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL11791297 0.69
SCHEMBL24070100 0.69 MLYCD (0.33) ALDH1A1MLYCD
SCHEMBL7931709 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24654747 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24246395 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7962414 0.67 CYP1A2 (0.32) ALDH1A1
SCHEMBL3786625 0.67 CYP2D6 (0.32) ALDH1A1
SCHEMBL13230635 0.67 ALDH1A1 (0.30) ALDH1A1

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-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 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-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO ALDH1A1 41/4885MLYCD 3069/4885

“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.