SCHEMBL4073089

SCHEMBL4073089

CO[CH]Cc1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
ALOX15 P16050 2/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
TSHR P16473 1/20 0.63
ALOX12 P18054 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
IDO1 P14902 5/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SLC6A4 P31645 1/20 0.45
CALM1 P0DP23 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL244069 0.81 ALDH1A1 (0.68) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL11437812 0.81 ALDH1A1 (0.68) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL10792996 0.81 ALDH1A1 (0.57) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL9982766 0.81 SMN1; SMN2 (0.57) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL3933929 0.79 ALDH1A1 (0.65) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL190915 0.79 ALDH1A1 (0.65) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL5598799 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL8318176 0.77 ALDH1A1 (0.63) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL8474430 0.77 ALDH1A1 (0.63) ALDH1A1ALOX15TP53CYP3A4TSHR
Estragole SCHEMBL57204 0.77 ALDH1A1 (1.00) ALDH1A1ALOX15TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010539-B1 STEREOSELECTIVE REDUCTION OF A MORPHINONE NEKTAR THERAPEUTICS (US) 2017-06-14 EP disclosed
US-8563726-B2 Stereoselective reduction of a morphinone NEKTAR THERAPEUTICS (US) 2013-10-22 US disclosed
US-20130018190-A1 STEREOSELECTIVE REDUCTION OF A MORPHINONE NEKTAR THERAPEUTICS (US) 2013-01-17 US disclosed
US-8183376-B2 Stereoselective reduction of a morphinone NEKTAR THERAPEUTICS (US) 2012-05-22 US disclosed
US-20090221766-A1 STEREOSELECTIVE REDUCTION OF A MORPHINONE NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-09-03 US disclosed
EP-2010539-A2 STEREOSELECTIVE REDUCTION OF A MORPHINONE Nektar Therapeutics AL, Corporation (US) 2009-01-07 EP disclosed
WO-2007124114-A2 STEREOSELECTIVE REDUCTION OF A MORPHINONE NEKTAR THERAPEUTICS AL, CORPORATION (US) 2007-11-01 WO 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 (2 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-20130018190-A1 STEREOSELECTIVE REDUCTION OF A MORPHINONE SORD, ADH1C, ADH1A ALDH1A1 57/4885ALOX15 1629/4885TP53 3307/4885
US-20090221766-A1 STEREOSELECTIVE REDUCTION OF A MORPHINONE SORD, ADH1C, ADH1A ALDH1A1 57/4885ALOX15 1629/4885TP53 3307/4885

“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.