SCHEMBL10157718

SCHEMBL10157718

OCc1onc(OCc2ccccc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
HTR2A P28223 1/20 0.47
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
MAOB P27338 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 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
SCHEMBL20860581 0.81 HTR2A (0.41) HTR2CHTR2ACHRM2CHRM4CHRM5
SCHEMBL15381045 0.78 HTR2A (0.43) HTR2CHTR2ACHRM2CHRM4CHRM5
SCHEMBL10157717 0.75 HTR2A (0.43) HTR2CHTR2ACHRM2CHRM4CHRM5
SCHEMBL20860570 0.75 HTR2A (0.43) HTR2CHTR2ACHRM2CHRM4CHRM5
SCHEMBL15829114 0.73 LMNA (0.42) HTR2CHTR2ACHRM2CHRM4CHRM5
SCHEMBL10157878 0.73 LMNA (0.42) HTR2CHTR2ACHRM2CHRM4CHRM5
SCHEMBL10157714 0.73 LMNA (0.42) HTR2CHTR2ACHRM2CHRM4CHRM5
SCHEMBL17409115 0.70 HTR2A (0.39) HTR2CHTR2ACHRM2CHRM4CHRM5
SCHEMBL5809583 0.70 HTR2A (0.41) HTR2CHTR2ACHRM2CHRM4CHRM5
SCHEMBL17409114 0.70 PPARG (0.44) HTR2CHTR2ACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056487-B1 SYNTHESIS OF ENONE INTERMEDIATE HARVARD COLLEGE (US) 2018-02-21 EP disclosed
US-8907104-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-12-09 US disclosed
US-20140179929-A1 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-26 US disclosed
US-8580969-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-11-12 US disclosed
US-20130217886-A1 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-08-22 US disclosed
US-8293920-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-10-23 US disclosed
US-20120029199-A1 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 US disclosed
US-7960559-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-14 US disclosed
US-20110009639-A1 SYNTHESIS OF ENONE INTERMEDIATE MYERS ANDREW G 2011-01-13 US disclosed
US-7763735-B2 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-27 US disclosed
US-20090093640-A1 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-09 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-20130217886-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2C 4653/4885HTR2A 4737/4885CHRM2 4846/4885
US-20110009639-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2C 4653/4885HTR2A 4737/4885CHRM2 4846/4885
US-20090093640-A1 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency TECR, TSN, TARS2 HTR2C 4665/4885HTR2A 4687/4885CHRM2 4794/4885
US-20140179929-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2C 4653/4885HTR2A 4737/4885CHRM2 4846/4885
US-20120029199-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2C 4653/4885HTR2A 4737/4885CHRM2 4846/4885

“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.