SCHEMBL13428222

SCHEMBL13428222

CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N5c6ccccc6CCc6ccccc65)cc4c(-c4ccc5cc(-c6ccccc6)ccc5c4)c4ccc(N5c6ccccc6CCc6ccccc65)cc34)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL13009510 0.95 ALDH1A1 (0.35) HSD17B3ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL13428172 0.95 ALDH1A1 (0.36) HSD17B3ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL13428156 0.94 ALDH1A1 (0.35) HSD17B3ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL13428214 0.94 ALDH1A1 (0.35) HSD17B3ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL13427093 0.94 PDK2 (0.32) PDK2
SCHEMBL13008413 0.94 ALDH1A1 (0.37) ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL13008866 0.94 ALDH1A1 (0.37) ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL13008434 0.94 HSD17B3 (0.35) HSD17B3PDK2
SCHEMBL13008840 0.93 HSD17B3 (0.33) HSD17B3PDK2
SCHEMBL13428137 0.93 HSD17B3 (0.33) HSD17B3PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 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-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A HSD17B3 3787/4885ALDH1A1 1477/4885LMNA 4186/4885

“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.