SCHEMBL20102785

SCHEMBL20102785

Cc1cc(C(C)(C)C)cc(C)c1N(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTR1D P28221 2/20 0.35
KCNH2 Q12809 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC2A1 P11166 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL20172774 0.92 TSHR (0.46) TSHRPOLBKDM4ELMNATYR
SCHEMBL10296037 0.88 TSHR (0.41) TSHRKDM4ELMNATYRMEN1
SCHEMBL21479961 0.83 TSHR (0.44) TSHRPOLBKDM4ELMNATYR
SCHEMBL1134090 0.82 TSHR (0.50) TSHRLMNATYRMEN1RAB9A
SCHEMBL11984188 0.81 TSHR (0.46) TSHRPOLBKDM4ELMNATYR
SCHEMBL12597656 0.80 KDM4C (0.45) TSHRPOLBKDM4ELMNATYR
SCHEMBL20210327 0.80 TSHR (0.41) TSHRPOLBKDM4ELMNATYR
SCHEMBL20210015 0.79 TSHR (0.40) TSHRPOLBKDM4ELMNATYR
SCHEMBL20172773 0.78 TSHR (0.68) TSHRLMNATYRMEN1RAB9A
SCHEMBL18560261 0.78 CYP2C9 (0.35) TSHRKDM4ECYP2C19CYP1A2ALDH1A1

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-20180123056-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED FOR THIS LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-03 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-20180123056-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED FOR THIS LIGHT EMITTING DEVICE CHRM1, CRY1, L1CAM TSHR 3346/4885POLB 1576/4885KDM4E 3757/4885

“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.