SCHEMBL11986233

SCHEMBL11986233

CC(C)(C)Oc1ccccc1C=N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 6/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 2/20 0.34
NFE2L2 Q16236 4/20 0.33
TRPA1 O75762 1/20 0.33
FBP1 P09467 1/20 0.33
HPGD P15428 4/20 0.32
HTT P42858 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL187272 0.83 ALDH1A1 (0.45) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL30414461 0.83 ALDH1A1 (0.45) LMNAKMT2AGAAALDH1A1CYP1A2
Methane SCHEMBL1904173 0.82 ALDH1A1 (0.43) LMNAKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL6413639 0.81 KCNH2 (0.35) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL24517871 0.79 PTGES2 (0.40) LMNAKMT2AGAAALDH1A1TRPA1
SCHEMBL1132167 0.79 ALDH1A1 (0.55) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL30717263 0.79 ALDH1A1 (0.55) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL3820431 0.77 CA1 (0.45) ALDH1A1KCNH2HTTCA12CA1
SCHEMBL29428931 0.77 CA1 (0.45) ALDH1A1KCNH2HTTCA12CA1
SCHEMBL15256768 0.76 GRIN2D (0.38) LMNAKMT2AGAAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011758-B2 Aliphatic polycarbonate-based surface active agents SASOL CHEMICALS (USA) LLC (US) 2018-07-03 US disclosed
US-20180022869-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS NOVOMER, INC. 2018-01-25 US disclosed
US-9850345-B2 Polycarbonate polyol compositions and methods SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-12-26 US disclosed
US-9809678-B2 Polycarbonate polyol compositions and methods SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-11-07 US disclosed
US-20170051106-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-02-23 US disclosed
US-20160264728-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2016-09-15 US disclosed
US-20160200962-A1 Aliphatic Polycarbonate-Based Surface Active Agents SASOL CHEMICALS (USA) LLC 2016-07-14 US disclosed
US-9388277-B2 Polycarbonate polyol compositions and methods NOVOMER, INC. (US) 2016-07-12 US disclosed
US-9376531-B2 Polycarbonate polyol compositions and methods NOVOMER, INC. (US) 2016-06-28 US disclosed
US-20150299386-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2015-10-22 US disclosed
US-20150152221-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2015-06-04 US disclosed
US-8921508-B2 Polycarbonate polyol compositions and methods NOVOMER, INC. (US) 2014-12-30 US disclosed
US-20140046008-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS NOVOMER, INC. (US) 2014-02-13 US disclosed
US-8470956-B2 Polycarbonate polyol compositions and methods NOVOMER, INC. (US) 2013-06-25 US disclosed
US-20130066044-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS NOVOMER, INC. (US) 2013-03-14 US disclosed
US-8247520-B2 Polycarbonate polyol compositions and methods NOVOMER, INC. (US) 2012-08-21 US disclosed
US-20110230580-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS Novomer, Inc (US) 2011-09-22 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-20110230580-A1 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS PARG, PUF60, PICALM LMNA 2980/4885KMT2A 1126/4885GAA 2202/4885

“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.