SCHEMBL10157717

SCHEMBL10157717

O=Cc1onc(OCc2ccccc2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 2/20 0.37
CDK1 P06493 3/20 0.37

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
SCHEMBL20860570 0.85 HTR2A (0.43) HTR2AHTR2CCA12CA1CA2
SCHEMBL10158105 0.78 HTR2A (0.38) HTR2AHTR2CCA12CA1CA2
SCHEMBL15381045 0.77 HTR2A (0.43) HTR2AHTR2CCA12CA1CA2
SCHEMBL10157718 0.75 HTR2C (0.47) HTR2AHTR2CCA12CA1CA2
SCHEMBL20860581 0.74 HTR2A (0.41) HTR2AHTR2CCA12CA1CA2
SCHEMBL17692675 0.74 HTR2A (0.35) HTR2AHTR2CCA12CA1CA2
SCHEMBL18531707 0.73 HTR2C (0.34) HTR2AHTR2CCA12CA1CA2
SCHEMBL15829114 0.72 LMNA (0.42) HTR2AHTR2CCA12CA1CA2
SCHEMBL10157878 0.72 LMNA (0.42) HTR2AHTR2CCA12CA1CA2
SCHEMBL10157714 0.72 LMNA (0.42) HTR2AHTR2CCA12CA1CA2

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 HTR2A 4737/4885HTR2C 4653/4885CA12 4773/4885
US-20110009639-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2A 4737/4885HTR2C 4653/4885CA12 4773/4885
US-20090093640-A1 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency TECR, TSN, TARS2 HTR2A 4687/4885HTR2C 4665/4885CA12 4763/4885
US-20140179929-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2A 4737/4885HTR2C 4653/4885CA12 4773/4885
US-20120029199-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2A 4737/4885HTR2C 4653/4885CA12 4773/4885

“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.