SCHEMBL862347

SCHEMBL862347

Cc1ccc2ncc(C)c(C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
PARP1 P09874 1/20 0.46
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAOA P21397 1/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TNF P01375 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ELANE P08246 1/20 0.38
NQO2 P16083 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL862474 0.83 CCR1 (0.54) CCR1CCR5CCR8PARP1HTR1A
SCHEMBL862232 0.83 CYP1A2 (0.44) CCR1CCR5CCR8PARP1HTR1A
SCHEMBL26199339 0.80 PARP1 (0.43) PARP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL20247529 0.80 PARP1 (0.43) PARP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL8343213 0.80 PARP1 (0.43) PARP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL13865282 0.77 POLB (0.47) CCR1CCR5CCR8HTR1AADRA1D
SCHEMBL13539130 0.76 CCR1 (0.48) CCR1CCR5CCR8MAPTSMN1; SMN2
SCHEMBL12311608 0.75 PARP1 (0.46) PARP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL9539910 0.75 CYP1A2 (0.52) CCR1CCR5CCR8PARP1HTR1A
SCHEMBL20474189 0.74 ALDH1A1 (0.50) LMNAHTTMAPTMAOAMAPK1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180053868-A1 PHOTOELECTRIC CONVERSION DEVICE HAVING REFLECTION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-22 US disclosed
US-20180053868-A1 PHOTOELECTRIC CONVERSION DEVICE HAVING REFLECTION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-22 US disclosed
WO-2017189663-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2017-11-02 WO disclosed
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 US disclosed
US-20170162808-A1 PHOTOELECTRIC CONVERSION DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-08 US disclosed
US-20170162808-A1 PHOTOELECTRIC CONVERSION DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-08 US disclosed
US-20160372675-A1 MACROMOLECULAR COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-22 US disclosed
US-20160372675-A1 MACROMOLECULAR COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-22 US disclosed
US-9512149-B2 Reactive compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-9512149-B2 Reactive compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20120205641-A1 PHOTOVOLTAIC CELL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
US-8142908-B2 Polymer light-emitting material comprising a conjugated polymer and compound exhibiting light emission from the triplet excited state and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20120008068-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-8012603-B2 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-06 US disclosed
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-12 US disclosed
US-20080118773-A1 Complex Composition, Polymer Complex Compound And Polymer Light-Emitting Device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-05-22 US disclosed
US-20080003422-A1 Polymer Compound, Polymer Thin Film and Polymer Thin Film Device Using the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-01-03 US disclosed
US-20070103059-A1 Composition and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-20070051922-A1 Polymer light-emitting material and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-08 US disclosed
US-20070040164-A1 Polymer complex compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-02-22 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 (3 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-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties BRS3, SLC43A1, MRPS23 CCR1 70/4885CCR5 521/4885CCR8 403/4885
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF FXR1, SLC10A1, NR1H4 CCR1 1746/4885CCR5 629/4885CCR8 2259/4885
US-20160372675-A1 MACROMOLECULAR COMPOUND EXOSC4, TRPC6, MRPS22 CCR1 288/4885CCR5 2067/4885CCR8 1548/4885

“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.