SCHEMBL286781

SCHEMBL286781

[C]1CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HTR2C P28335 1/20 0.40
MAOB P27338 4/20 0.36
CYP2A6 P11509 1/20 0.36
PNMT P11086 1/20 0.36
CD44 P16070 1/20 0.36
MAOA P21397 3/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
PLAU P00749 1/20 0.33
CES1 P23141 1/20 0.32
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL24203 1.00 TSHR (0.46) TSHRHTR2CMAOBCYP2A6PNMT
SCHEMBL4166749 0.86 TSHR (0.53) TSHRHTR2CMAOBCYP2A6PNMT
SCHEMBL2588517 0.85 TSHR (0.55) TSHRHTR2CMAOBCYP2A6PNMT
SCHEMBL4781186 0.83 TSHR (0.59) TSHRHTR2CMAOBCYP2A6PNMT
SCHEMBL1623564 0.80
SCHEMBL157430 0.80
SCHEMBL379730 0.72
SCHEMBL141176 0.72
SCHEMBL8806125 0.70 PARP1 (0.34) HTR2CDRD2DRD3
SCHEMBL8807519 0.70 HTR1D (0.35) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343697-B2 Electrophotographic photoconductor and image forming apparatus provided with the same SHARP KABUSHIKI KAISHA (JP) 2013-01-01 US claimed
US-20090257777-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND IMAGE FORMING APPARATUS PROVIDED WITH THE SAME SHARP KABUSHIKI KAISHA (JP) 2009-10-15 US claimed
US-9127098-B2 O-imino-iso-urea compounds and polymerizable compositions thereof BASF SE (DE) 2015-09-08 US disclosed
EP-2427428-B1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF BASF SE (DE) 2015-08-19 EP disclosed
US-20140113987-A1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF BASF SE (DE) 2014-04-24 US disclosed
US-8664288-B2 O-imino-iso-urea compounds and polymerizable compositions thereof BASF SE (DE) 2014-03-04 US disclosed
US-8343697-B2 Electrophotographic photoconductor and image forming apparatus provided with the same SHARP KABUSHIKI KAISHA (JP) 2013-01-01 US disclosed
US-20120108696-A1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF BASF SE (DE) 2012-05-03 US disclosed
EP-2427428-A1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF BASF SE (DE) 2012-03-14 EP disclosed
WO-2010128062-A1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF BASF SE (DE) 2010-11-11 WO disclosed
US-20090257777-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND IMAGE FORMING APPARATUS PROVIDED WITH THE SAME SHARP KABUSHIKI KAISHA (JP) 2009-10-15 US disclosed
WO-2008005670-A2 ONE-POT CONDENSATION REDUCTION METHODS FOR PREPARING SUBSTITUTED ALLYLIC ALCOHOLS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-10 WO disclosed
US-20080009628-A1 One-Pot Condensation-Reduction Methods for Preparing Substituted Allylic Alcohols JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-10 US disclosed
US-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP disclosed
US-5076831-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed
EP-0430004-A2 1,8-Naphthalimides as antidotes BASF Aktiengesellschaft (DE) 1991-06-05 EP 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 (4 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 TSHR 4765/4885HTR2C 3206/4885MAOB 2568/4885
US-20120108696-A1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF CCNC, CCNO, CCNI TSHR 2345/4885HTR2C 1650/4885MAOB 967/4885
US-20080009628-A1 One-Pot Condensation-Reduction Methods for Preparing Substituted Allylic Alcohols ADH1A, ADH1C, TALDO1 TSHR 3545/4885HTR2C 3391/4885MAOB 2746/4885
US-20140113987-A1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF CCNC, CPS1, ODC1 TSHR 2083/4885HTR2C 1970/4885MAOB 1035/4885

“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.