SCHEMBL5108682

SCHEMBL5108682

CCCCCCOc1cc(-c2cccc(N)c2)c(OCCCCCC)cc1-c1cccc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
MCHR1 Q99705 2/20 0.46
TLR8 Q9NR97 2/20 0.46
PTPN11 Q06124 4/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL4924153 0.85 TSHR (0.54) TSHRCNR1CNR2MCHR1TLR8
SCHEMBL4936272 0.85 TSHR (0.54) TSHRCNR1CNR2MCHR1TLR8
SCHEMBL18675930 0.78 TSHR (0.79) TSHRCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5107815 0.76 CYP19A1 (0.52) PTPN11MEN1MAPTKMT2ALMNA
SCHEMBL7713999 0.76 THRA (0.53) CNR2PTPN11MEN1MAPTKMT2A
SCHEMBL11546346 0.76 TSHR (1.00) TSHRCYP3A4TP53
SCHEMBL17402431 0.76 TSHR (1.00) TSHRCYP3A4TP53
SCHEMBL4909965 0.76 TSHR (0.56) TSHRMCHR1TLR8PTPN11CYP1A2
SCHEMBL21295950 0.76 TSHR (1.00) TSHRCYP3A4TP53
SCHEMBL5145915 0.76 TSHR (1.00) TSHRCYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7318964-B2 Fluorene compounds containing various functional groups, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-15 US claimed
US-7318964-B2 Fluorene compounds containing various functional groups, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-15 US disclosed
US-20030091859-A1 Fluorene compounds containing various functional groups, polymers thereof and el element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-05-15 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-20030091859-A1 Fluorene compounds containing various functional groups, polymers thereof and el element using the same AFF4, AFF2, LEF1 TSHR 4411/4885CNR1 4549/4885CNR2 4120/4885

“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.