SCHEMBL13487129

SCHEMBL13487129

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(N4c5ccccc5Cc5ccccc54)c4ccc(-c5ccccc5)cc34)cccc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.31
HSD17B3 P37058 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30
TDP2 O95551 1/20 0.30

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
SCHEMBL13487132 0.94 HSD17B3 (0.37) TYMSHSD17B3TSHRKMT2AHTR2A
SCHEMBL13487385 0.93
SCHEMBL13487125 0.92 TYMS (0.33) TYMSKMT2A
SCHEMBL13487300 0.91 MET (0.30)
SCHEMBL13487198 0.90 MEN1 (0.32) KMT2A
SCHEMBL13487128 0.90 TYMS (0.32) TYMSTSHRKMT2A
SCHEMBL13487539 0.88 TSHR (0.33) HSD17B3TSHRKMT2AHTR2AHTR2C
SCHEMBL13487919 0.88 PDK2 (0.34) HSD17B3TSHRKMT2AHTR2AHTR2C
SCHEMBL13487131 0.88 TYMS (0.31) TYMS
SCHEMBL13487127 0.88 TYMS (0.31) TYMS

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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
EP-2108689-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 TYMS 1763/4885HSD17B3 1499/4885TSHR 4729/4885

“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.