SCHEMBL18287370

SCHEMBL18287370

Cc1ccc(N(C)c2ccc(C)cc2N(c2ccccc2)c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ APP P05067 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 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
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL12636579 0.88 TDP1 (0.37) CA12CA9TDP1CYP2A6APP
SCHEMBL18287369 0.88 TDP1 (0.37) CA12CA9TDP1CYP2A6APP
SCHEMBL13326122 0.80 HTT (0.39) CA12CA9TDP1CYP2A6APP
SCHEMBL30657670 0.80 MEN1 (0.38) CA12CA9TDP1CYP2A6APP
SCHEMBL1377414 0.80 MEN1 (0.38) CA12CA9TDP1CYP2A6APP
SCHEMBL18287372 0.79 ALDH1A1 (0.41) CA12CA9TDP1MEN1KMT2A
SCHEMBL29165361 0.78 MEN1 (0.37) CA12CA9TDP1CYP2A6APP
SCHEMBL19270230 0.78 TDP1 (0.39) CA12CA9TDP1CYP2A6APP
SCHEMBL12636589 0.78 HDAC7 (0.39) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL14466518 0.77 ALDH1A1 (0.41) CA12CA9TDP1APPMEN1

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-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-08 — — 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-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OXA1L, MAL2, L1CAM CA12 780/4885CA9 1542/4885TDP1 4331/4885

“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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