SCHEMBL10157929

SCHEMBL10157929

C=C[C@@H](OC)c1onc(OCc2ccccc2)c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 3/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
BRD4 O60885 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL10157888 1.00 HTR2A (0.38) HTR2AHTR2CLMNAALDH1A1TSHR
SCHEMBL10157914 0.85 HTR2A (0.38) HTR2AHTR2CLMNAALDH1A1TSHR
SCHEMBL10157883 0.85 HTR2A (0.38) HTR2AHTR2CLMNAALDH1A1TSHR
SCHEMBL10157880 0.82 LMNA (0.42) HTR2AHTR2CLMNAALDH1A1TSHR
SCHEMBL10157915 0.82 LMNA (0.42) HTR2AHTR2CLMNAALDH1A1TSHR
SCHEMBL10157916 0.81 HTR2A (0.38) HTR2AHTR2CLMNAALDH1A1TSHR
SCHEMBL10157885 0.81 HTR2A (0.38) HTR2AHTR2CLMNAALDH1A1TSHR
SCHEMBL10157927 0.81 HTR2A (0.38) HTR2AHTR2CLMNAALDH1A1TSHR
SCHEMBL10157886 0.81 HTR2A (0.38) HTR2AHTR2CLMNAALDH1A1TSHR
SCHEMBL10157925 0.74 SMPD1 (0.40) ALDH1A1BRD4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4653/4885LMNA 1039/4885
US-20110009639-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2A 4737/4885HTR2C 4653/4885LMNA 1039/4885
US-20090093640-A1 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency TECR, TSN, TARS2 HTR2A 4687/4885HTR2C 4665/4885LMNA 1906/4885
US-20140179929-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2A 4737/4885HTR2C 4653/4885LMNA 1039/4885
US-20120029199-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 HTR2A 4737/4885HTR2C 4653/4885LMNA 1039/4885

“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.