SCHEMBL4924153

SCHEMBL4924153

CCCCCCCCCCCCCCCCCCOc1cc(N)cc(-c2cccc(N)c2)c1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MCHR1 Q99705 2/20 0.41
TLR8 Q9NR97 2/20 0.41
PTPN11 Q06124 4/20 0.40
FYN P06241 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 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
SCHEMBL4936272 1.00 TSHR (0.54) TSHRCNR1CNR2MCHR1TLR8
SCHEMBL5108682 0.85 TSHR (0.60) TSHRCNR1CNR2MCHR1TLR8
SCHEMBL4428671 0.80 SOAT1 (0.52) TSHRTLR8PTPN11FYNMEN1
SCHEMBL989755 0.80 TSHR (0.50) TSHRMCHR1TLR8MEN1MAPT
SCHEMBL28103222 0.80 TSHR (0.50) TSHRMCHR1TLR8MEN1MAPT
SCHEMBL14706339 0.74 TSHR (0.45) TSHRMCHR1TLR8MEN1MAPT
SCHEMBL4910078 0.74 TSHR (0.56) TSHRMCHR1TLR8PTPN11MEN1
SCHEMBL4909965 0.74 TSHR (0.56) TSHRMCHR1TLR8PTPN11MEN1
SCHEMBL4908833 0.74 TSHR (0.56) TSHRMCHR1TLR8PTPN11MEN1
SCHEMBL18675930 0.73 TSHR (0.79) TSHRCYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269458-A1 POLYIMIDE AND LIQUID CRYSTAL ALIGNMENT FILM THEREOF NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2008-10-30 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 (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-20080269458-A1 POLYIMIDE AND LIQUID CRYSTAL ALIGNMENT FILM THEREOF PUF60, DDT, PARG TSHR 4533/4885CNR1 4841/4885CNR2 4809/4885

“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.