SCHEMBL2581671

SCHEMBL2581671

COc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccc(OC)cc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ RAB9A P51151 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ OXTR P30559 2/20 0.52
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ GLA P06280 1/20 0.48
▸ PTGS1 P23219 2/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ G6PD P11413 1/20 0.45
▸ AVPR2 P30518 1/20 0.44
▸ AVPR1A P37288 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL2588310 0.92 ALDH1A1 (0.53) ALDH1A1RAB9ANPSR1OXTRLMNA
SCHEMBL30273884 0.92 ALDH1A1 (0.53) ALDH1A1RAB9ANPSR1OXTRLMNA
SCHEMBL29095912 0.89 ALDH1A1 (0.53) ALDH1A1RAB9ANPSR1OXTRLMNA
SCHEMBL2951781 0.87 ALDH1A1 (0.52) ALDH1A1RAB9ANPSR1LMNAMAPT
SCHEMBL29746884 0.86 OXTR (0.50) ALDH1A1RAB9ANPSR1OXTRGLA
SCHEMBL2585148 0.86 ALDH1A1 (0.49) ALDH1A1RAB9ANPSR1LMNAMAPT
SCHEMBL27817104 0.86 MEN1 (0.49) ALDH1A1RAB9ANPSR1OXTRLMNA
SCHEMBL31109976 0.86 MEN1 (0.48) ALDH1A1RAB9ANPSR1OXTRLMNA
SCHEMBL21195750 0.86 MEN1 (0.48) ALDH1A1RAB9ANPSR1OXTRLMNA
SCHEMBL30507756 0.84 MEN1 (0.46) ALDH1A1RAB9ANPSR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11165035-B2 Organic electroluminescent device emitting blue light CYNORA GMBH (DE) 2021-11-02 — — US disclosed
US-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 — — US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 — — US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 — — US disclosed
US-8048542-B2 Bis-phenanthroimidazolyl compound and electroluminescent device using the same NATIONAL TSING HUA UNIVERSITY (TW) 2011-11-01 — — US disclosed
US-20100253208-A1 BIS-PHENANTHROIMIDAZOLYL COMPOUND AND ELECTROLUMINESCENT DEVICE USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2010-10-07 — — 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-20100253208-A1 BIS-PHENANTHROIMIDAZOLYL COMPOUND AND ELECTROLUMINESCENT DEVICE USING THE SAME SLC43A3, SLC29A1, SLC29A2 ALDH1A1 927/4885RAB9A 621/4885NPSR1 1614/4885
US-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 ALDH1A1 542/4885RAB9A 3768/4885NPSR1 1737/4885

“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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