SCHEMBL12223409

SCHEMBL12223409

COc1ccc2c(c1-c1cccc3c1OCO3)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR7 P34969 4/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
DRD2 P14416 3/20 0.42
CYP19A1 P11511 1/20 0.42
NQO2 P16083 1/20 0.42
DRD1 P21728 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL17431921 0.85 DRD2 (0.40) KDM4EALDH1A1MAPTKMT2ANPC1
SCHEMBL20040527 0.84 DRD2 (0.37) KDM4EALDH1A1MAPTKMT2ANPC1
SCHEMBL12197451 0.84 DRD2 (0.38) KDM4EALDH1A1MAPTKMT2ANPC1
SCHEMBL14125005 0.84 DRD2 (0.40) ALDH1A1KMT2APOLBGAARAB9A
SCHEMBL14136635 0.84 AOC3 (0.52) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL18843733 0.79 AOC3 (0.37) ALDH1A1POLBGAAHTR7HTR2A
SCHEMBL16366159 0.79 DRD2 (0.42) KMT2APOLBGAARAB9ADRD2
SCHEMBL1145699 0.78 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2HTR7HTR2A
SCHEMBL17431881 0.76 DRD2 (0.42) MAPTKMT2AGAARAB9ADRD2
SCHEMBL25910897 0.76 CHEK1 (0.40) KMT2AGAADRD2CYP19A1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534140-B1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES BOSTON COLLEGE (US) 2018-04-11 EP disclosed
US-9776179-B2 Production of fatty olefin derivatives via olefin metathesis PROVIVI, INC. (US) 2017-10-03 US disclosed
US-9771386-B2 Z-selective ring-closing metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-09-26 US disclosed
EP-2721027-B1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS MASSACHUSETTS INST TECHNOLOGY (US) 2017-05-31 EP disclosed
US-20170137365-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS PROVIVI, INC. (US) 2017-05-18 US disclosed
US-20170129910-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT 2017-05-11 US disclosed
US-9446394-B2 Z-selective ring-closing metathesis reactions TRUSTEES OF BOSTON COLLEGE (US) 2016-09-20 US disclosed
US-20150246348-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-09-03 US disclosed
US-9085595-B2 Tungsten oxo alkylidene complexes for Z selective olefin metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-21 US disclosed
US-9073801-B2 Z-selective ring-closing metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-07 US disclosed
US-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-06 US disclosed
US-8552242-B2 2013-10-08 US disclosed
US-8546500-B2 Complexes for use in metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-01 US disclosed
US-20130116434-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2013-05-09 US disclosed
US-20120323000-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS TRUSTEES OF BOSTON COLLEGE (US) 2012-12-20 US disclosed
US-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-10-06 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 (7 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-20130116434-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS SOD1, ZRANB2, ZCCHC8 KDM4E 4640/4885ALDH1A1 2922/4885MAPT 3265/4885
US-20170137365-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS SREBF1, F2, SREBF2 KDM4E 4504/4885ALDH1A1 1913/4885MAPT 4842/4885
US-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS PAICS, COASY, CYP51A1 KDM4E 4435/4885ALDH1A1 701/4885MAPT 4607/4885
US-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF TERT, CYP19A1, MPO KDM4E 2110/4885ALDH1A1 109/4885MAPT 4037/4885
US-20120323000-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 KDM4E 2372/4885ALDH1A1 1620/4885MAPT 3406/4885
US-20150246348-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 KDM4E 2372/4885ALDH1A1 1620/4885MAPT 3406/4885
US-20170129910-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 KDM4E 2372/4885ALDH1A1 1620/4885MAPT 3406/4885

“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.