SCHEMBL13339055

SCHEMBL13339055

CC(C)Oc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL10047611 0.88 KMT2A (0.47) CNR2CYP1A2KMT2AMAPTTP53
SCHEMBL14184695 0.84 UGT2B7 (0.43) PPARGPPARACYP1A2CYP2A6KMT2A
SCHEMBL2538296 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6KMT2AMAPTTP53
SCHEMBL13720810 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6KMT2AMAPTTP53
SCHEMBL13020773 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6KMT2AMAPTTP53
SCHEMBL23264547 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6KMT2AMAPTTP53
SCHEMBL23264367 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6KMT2AMAPTTP53
SCHEMBL23264365 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6KMT2AMAPTTP53
SCHEMBL23264340 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6KMT2AMAPTTP53
SCHEMBL23264339 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6KMT2AMAPTTP53

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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 — — 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 PPARG 3287/4885PPARA 2975/4885CNR2 1320/4885

“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.

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