SCHEMBL13507531

SCHEMBL13507531

CN1c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c4c(ccc1c24)N(C)c1cc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)ccc1-3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ APP P05067 1/20 0.31
▸ GABRA1 P14867 2/20 0.30
▸ GABRG2 P18507 2/20 0.30
▸ GABRB3 P28472 2/20 0.30
▸ GABRA5 P31644 2/20 0.30
▸ GABRA3 P34903 2/20 0.30
▸ GABRA2 P47869 2/20 0.30
▸ GABRB2 P47870 2/20 0.30
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 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
SCHEMBL13507645 0.94 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13507694 0.89 APP (0.33) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13507264 0.86 POLB (0.33) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13508082 0.85 MCL1 (0.36) KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL13507258 0.85 NR1H3 (0.35) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13507706 0.85 PDK2 (0.33) MAPTTDP1MEN1MAPK1KMT2A
SCHEMBL13507589 0.83 MEN1 (0.38) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL13507689 0.82 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1APPMEN1
SCHEMBL13507533 0.81 — —
SCHEMBL13507246 0.81 AKT1 (0.35) ALDH1A1TDP1L3MBTL1MEN1MAPK1

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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US disclosed
EP-2145936-A2 Fluorene and pyrene derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-20 — — 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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 ALDH1A1 119/4885MAPT 2046/4885KDM4E 3009/4885

“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.

Send feedback