SCHEMBL3459047

SCHEMBL3459047

COc1ccc(OC)c(C[C@@H](C)O)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.70
HSD17B10 Q99714 1/20 0.56
ADRA1A P35348 3/20 0.54
IDO1 P14902 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRB2 P47870 1/20 0.54
ADRA2A P08913 2/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
AOC3 Q16853 1/20 0.49

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
SCHEMBL13692380 1.00 HTR2A (0.70) HTR2AHSD17B10ADRA1AIDO1TAAR1
SCHEMBL9118398 0.86 APLNR (0.56) HTR2AADRA1AGABRA1GABRB2ADRA2A
SCHEMBL4960829 0.85 HTR2A (0.74) HTR2AHSD17B10ADRA1AIDO1TAAR1
SCHEMBL6203717 0.84 HTR2A (0.68) HTR2AHSD17B10ADRA1AIDO1TAAR1
SCHEMBL8527544 0.83 HTR2A (0.61) HTR2AHSD17B10ADRA1AIDO1TAAR1
SCHEMBL9171220 0.82 HTR2A (0.70) HTR2AHSD17B10ADRA1AIDO1TAAR1
SCHEMBL1740902 0.82 HTR2A (1.00) HTR2AADRA1AIDO1TAAR1
SCHEMBL1740903 0.82 HTR2A (1.00) HTR2AADRA1AIDO1TAAR1
SCHEMBL3459466 0.82 GABRA1 (0.54) HTR2AGABRA1GABRB2GAA
SCHEMBL4633299 0.82 HTR2A (0.47) HTR2AGABRA1GABRB2GAA

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
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
CN-102036990-B Novel tyrosine kinase inhibitors CHEMBRIDGE CORP. (US) 2015-09-30 CN disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-8986846-B2 Thermosetting oligomer or polymer, thermosetting resin composition including the oligomer or polymer, and printed circuit board using the composition SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2015-03-24 US disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
EP-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 EP disclosed
US-20100155120-A1 THERMOSETTING OLIGOMER OR POLYMER, THERMOSETTING RESIN COMPOSITION INCLUDING THE OLIGOMER OR POLYMER, AND PRINTED CIRCUIT BOARD USING THE COMPOSITION SAMSUNG ELECTRONICS CO. LTD. (KR) 2010-06-24 US disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO 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 (2 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-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 HTR2A 3742/4885HSD17B10 2321/4885ADRA1A 2190/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 HTR2A 3742/4885HSD17B10 2321/4885ADRA1A 2190/4885

“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.