SCHEMBL17246801

SCHEMBL17246801

C=C(/C=C\C=C\C)N(c1ccccc1)c1ccc(N(c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ PTGIR P43119 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL19427200 0.99 PTGIR (0.33) CYP3A4CYP2C9CYP2C19TRPM8ALDH1A1
SCHEMBL12957651 0.95 HSD17B1 (0.33) CYP3A4CYP2C9CYP2C19TRPM8ALDH1A1
SCHEMBL23544437 0.90 PTGIR (0.34) CYP3A4CYP2C9CYP2C19TRPM8ALDH1A1
SCHEMBL25733615 0.89 ALDH1A1 (0.36) CYP3A4CYP2C9CYP2C19TRPM8ALDH1A1
SCHEMBL18786358 0.86 TRPM8 (0.32) CYP3A4CYP2C9CYP2C19TRPM8ALDH1A1
SCHEMBL21563899 0.84 PTGIR (0.33) CYP3A4CYP2C9CYP2C19TRPM8ALDH1A1
SCHEMBL18884629 0.84 PTGIR (0.33) CYP3A4CYP2C9CYP2C19TRPM8ALDH1A1
SCHEMBL25613394 0.84 ALDH1A1 (0.36) ALDH1A1HTT
SCHEMBL22643654 0.83 NPSR1 (0.38) TRPM8ALDH1A1RAB9ANPC1HTT
SCHEMBL13072311 0.82 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19TRPM8ALDH1A1

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-10825993-B2 Organic light-emitting device and method of manufacturing the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 — — US disclosed
US-10797245-B2 Compound for organic optoelectronic element, organic optoelectronic element, and display device SAMSUNG SDI CO., LTD. (KR) 2020-10-06 — — US disclosed
US-20170309830-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20170309830-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20150364696-A1 ORGANIC LIGHT-EMITTING DEVICE AND METHOD OF MANUFACTURING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-17 — — US disclosed
US-20150364696-A1 ORGANIC LIGHT-EMITTING DEVICE AND METHOD OF MANUFACTURING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-17 — — US disclosed
US-20150325798-A1 ORGANIC LIGHT-EMITTING DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2015-11-12 — — US disclosed
US-20150325798-A1 ORGANIC LIGHT-EMITTING DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2015-11-12 — — 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 (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-10797245-B2 Compound for organic optoelectronic element, organic optoelectronic element, and display device OR10J3, OCIAD2, OCIAD1 CYP3A4 519/4885CYP2C9 128/4885CYP2C19 157/4885
US-20170309830-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 CYP3A4 519/4885CYP2C9 128/4885CYP2C19 157/4885

“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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