SCHEMBL1191671

SCHEMBL1191671

OC(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccc2c(-c3ccccc3)c3cc(-c4ccccc4C(O)(c4ccccc4)c4ccccc4)ccc3c(-c3ccccc3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
RORC P51449 2/20 0.34
CYP2C9 P11712 3/20 0.34
PTPN5 P54829 2/20 0.34
CYP2D6 P10635 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP3A4 P08684 3/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
AR P10275 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL4946065 0.80 CRHBP (0.44) CRHBPCRHR2CYP2C9CYP2D6CYP1A2
SCHEMBL283048 0.80 RORC (0.35) CRHBPCRHR2RORCCYP2C9PTPN5
SCHEMBL16182145 0.80 RORC (0.35) CRHBPCRHR2RORCCYP2C9PTPN5
SCHEMBL438674 0.79 MAPK1 (0.39) CRHBPCRHR2RORCCYP2C9CYP2D6
SCHEMBL438804 0.77 RORC (0.35) CRHBPCRHR2RORCCYP2C9PTPN5
SCHEMBL440108 0.75 ALDH1A1 (0.35) RORCCYP2C9PTPN5CYP2D6CYP1A2
SCHEMBL1758324 0.74 CRHBP (0.48) CRHBPCRHR2CYP2C9CYP2D6CYP1A2
SCHEMBL19881693 0.72 TRPA1 (0.36) TRPA1ALDH1A1TRPV1
SCHEMBL13776779 0.72 CYP2A6 (0.42) CRHBPCRHR2CYP2C9CYP2D6CYP1A2
SCHEMBL16202902 0.72 TRPV1 (0.40) CYP2C9PTPN5CYP2D6CYP1A2CYP2C19

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-2265689-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2018-06-20 EP disclosed
US-8927117-B2 Materials for organic electroluminescence device MERCK PATENT GMBH (DE) 2015-01-06 US disclosed
US-8927117-B2 Materials for organic electroluminescence device MERCK PATENT GMBH (DE) 2015-01-06 US disclosed
US-8927117-B2 Materials for organic electroluminescence device MERCK PATENT GMBH (DE) 2015-01-06 US disclosed
CN-102007194-A Novel materials for organic electroluminescent devices MERCK PATENT GMBH 2011-04-06 CN disclosed
US-20110037063-A1 NOVEL MATERILS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-02-17 US disclosed
US-20110037063-A1 NOVEL MATERILS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-02-17 US disclosed
US-20110037063-A1 NOVEL MATERILS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-02-17 US disclosed
EP-2265689-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2010-12-29 EP disclosed
WO-2009127307-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-22 WO disclosed
WO-2009127307-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-22 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 (1 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-20110037063-A1 NOVEL MATERILS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, EML4, SLC40A1 CRHBP 2345/4885CRHR2 3092/4885RORC 3167/4885

“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.