SCHEMBL12197451

SCHEMBL12197451

CC(C)Oc1ccc2c(c1-c1cccc3c1OCO3)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
DRD1 P21728 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CCR2 P41597 1/20 0.35
AOC3 Q16853 1/20 0.35
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR7 P34969 2/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL18843733 0.87 AOC3 (0.37) DRD2DRD1ALDH1A1POLBAOC3
SCHEMBL17429259 0.86 MTNR1B (0.41) DRD2DRD1CA1CA2CA7
SCHEMBL12223409 0.84 KDM4E (0.44) DRD2DRD1ALDH1A1POLBHTR7
SCHEMBL20040527 0.81 DRD2 (0.37) DRD2DRD1ALDH1A1POLBAOC3
SCHEMBL14136635 0.80 AOC3 (0.52) DRD2DRD1ALDH1A1POLBADRA1D
SCHEMBL14125005 0.80 DRD2 (0.40) DRD2DRD1ALDH1A1POLBADRA1D
SCHEMBL16366159 0.75 DRD2 (0.42) DRD2DRD1POLBADRA1DADRA1A
SCHEMBL12439969 0.74 DRD2 (0.38) DRD2DRD1ALDH1A1POLBTSHR
SCHEMBL17431881 0.73 DRD2 (0.42) DRD2DRD1AOC3TSHRKMT2A
SCHEMBL14950291 0.72 AOC3 (0.44) DRD2DRD1AOC3TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771386-B2 Z-selective ring-closing metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-09-26 US disclosed
US-9771386-B2 Z-selective ring-closing metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-09-26 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-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-8552242-B2 2013-10-08 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 (5 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 DRD2 1543/4885DRD1 1502/4885CA1 3291/4885
US-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS PAICS, COASY, CYP51A1 DRD2 3137/4885DRD1 2715/4885CA1 668/4885
US-20120323000-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 DRD2 951/4885DRD1 836/4885CA1 2701/4885
US-20150246348-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 DRD2 951/4885DRD1 836/4885CA1 2701/4885
US-20170129910-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 DRD2 951/4885DRD1 836/4885CA1 2701/4885

“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.