SCHEMBL1979664

SCHEMBL1979664

CCCCCCOc1cc(N)c(N)cc1OCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TLR8 Q9NR97 2/20 0.50
TSHR P16473 1/20 0.50
MCHR1 Q99705 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CHUK O15111 1/20 0.45
DAPK3 O43293 1/20 0.45

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
SCHEMBL18428553 1.00 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19TLR8TSHR
SCHEMBL30861903 1.00 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19TLR8TSHR
SCHEMBL2252027 1.00 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19TLR8TSHR
SCHEMBL10595283 1.00 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19TLR8TSHR
SCHEMBL7044142 0.98 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19TLR8TSHR
SCHEMBL11579460 0.91 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19TLR8TSHR
SCHEMBL19980862 0.88 MEN1 (0.55) CYP1A2CYP2C9CYP2C19TLR8TSHR
SCHEMBL15826627 0.87 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19TLR8TSHR
SCHEMBL11225207 0.85 SMPD1 (0.47) CYP1A2CYP2C9CYP2C19TLR8TSHR
SCHEMBL2367661 0.85 TLR8 (0.54) CYP1A2CYP2C9CYP2C19TLR8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260035-B1 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX KK (JP) 2014-08-20 EP disclosed
EP-2260035-B1 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX KK (JP) 2014-08-20 EP disclosed
US-20110149393-A1 Polycyclic Organic Compounds, Polarizing Elements and Method of Production Thereof Crysoptic KK (JP) 2011-06-23 US disclosed
US-20110149393-A1 Polycyclic Organic Compounds, Polarizing Elements and Method of Production Thereof Crysoptic KK (JP) 2011-06-23 US disclosed
US-20110149393-A1 Polycyclic Organic Compounds, Polarizing Elements and Method of Production Thereof Crysoptic KK (JP) 2011-06-23 US disclosed
EP-2260035-A2 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2010-12-15 EP disclosed
WO-2009109781-A2 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2009-09-11 WO disclosed
WO-2009109781-A2 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2009-09-11 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-20110149393-A1 Polycyclic Organic Compounds, Polarizing Elements and Method of Production Thereof CCNB1, CCNB2, CCNE2 CYP1A2 213/4885CYP2C9 242/4885CYP2C19 414/4885

“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.