SCHEMBL13833016

SCHEMBL13833016

CC1(C)c2ccccc2N(c2cccc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)c2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ FAAH O00519 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ COMT P21964 5/20 0.35
▸ PGR P06401 3/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ USP2 O75604 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL13832919 0.91 PGR (0.34) ALDH1A1HTTFAAHHSP90AA1PKM
SCHEMBL19797403 0.91 ALDH1A1 (0.37) ALDH1A1HTTFAAHHSP90AA1PKM
SCHEMBL19797405 0.88 FAAH (0.33) ALDH1A1HTTFAAHHSP90AA1PKM
SCHEMBL13833003 0.87 FAAH (0.39) ALDH1A1HTTFAAHHSP90AA1PKM
SCHEMBL19797404 0.86 ALDH1A1 (0.33) ALDH1A1HTTFAAHHSP90AA1PKM
SCHEMBL19797401 0.85 ALDH1A1 (0.34) ALDH1A1HTTFAAHHSP90AA1PKM
SCHEMBL25648538 0.85 ALDH1A1 (0.46) ALDH1A1HTTFAAHHSP90AA1PKM
SCHEMBL13231543 0.85 HTT (0.43) ALDH1A1HTTFAAHHSP90AA1PKM
SCHEMBL13832913 0.85 PGR (0.36) ALDH1A1HTTFAAHHSP90AA1PKM
SCHEMBL13231623 0.84 PGR (0.38) ALDH1A1HTTPGRADAMTS5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10388889-B2 Substituted phosphines as components of organic light-emitting devices SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-20 — — US disclosed
US-10177312-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2019-01-08 — — US disclosed
US-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 — — US disclosed
US-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 — — US disclosed
EP-2705550-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-07-05 — — EP disclosed
US-20140070146-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-03-13 — — US disclosed
US-20140070146-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-03-13 — — US disclosed
WO-2012149999-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-08 — — WO 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 (2 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-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CYP1B1 ALDH1A1 24/4885HTT 2064/4885FAAH 831/4885
US-10388889-B2 Substituted phosphines as components of organic light-emitting devices CRY1, CRY2, PER2 ALDH1A1 364/4885HTT 3907/4885FAAH 3062/4885

“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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