SCHEMBL2347376

SCHEMBL2347376

COc1ccc(-c2ccc3ccc4ccc(-c5ccc(OC)cc5)nc4c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.62
▸ RAB9A P51151 7/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ PARP1 P09874 2/20 0.60
▸ CASP3 P42574 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 5/20 0.50
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ ENPP3 O14638 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ ALDH1A3 P47895 1/20 0.46

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
SCHEMBL14329875 0.87 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL17174132 0.87 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11369248 0.82 PARP1 (0.52) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12112562 0.82 PARP1 (0.44) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL17955215 0.80 NPC1 (0.50) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11962281 0.79 TEAD4 (0.44) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3628069 0.78 NPC1 (0.61) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL707767 0.77 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4486496 0.77 KDM4E (0.70) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11962278 0.77 RAB9A (0.54) NPC1RAB9AALDH1A1KDM4ESMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363643-A1 Pesticides based on partially different 2-aryl-substituted 1-10-phenanthrolines, and their preparation BAYER AG (DE) 1990-04-18 — — EP claimed
CN-110803971-B Method for preparing bibenzyl compound through photocatalysis 南方科技大学 2022-10-28 — — CN disclosed
US-20220119435-A1 COMPOSITIONS OF MECHANICALLY INTERLOCKED, TOPOLOGICALLY COMPLEX CROSSLINKERS AND POLYMERS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY (US) 2022-04-21 — — US disclosed
US-8669335-B2 Knotty polymers via supramolecularly templated macroinitiators and living polymerization and methods for making and using same THE UNIVERSITY OF HOUSTON SYSTEM (US) 2014-03-11 — — US disclosed
US-8071975-B2 Electronic devices made with electron transport and/or anti-quenching layers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-12-06 — — US disclosed
US-20110207878-A1 KNOTTY POLYMERS VIA SUPRAMOLECULARLY TEMPLATED MACROINITIATORS AND LIVING POLYMERIZATION AND METHODS FOR MAKING AND USING SAME THE UNIVERSITY OF HOUSTON SYSTEM (US) 2011-08-25 — — US disclosed
WO-2011100757-A2 KNOTTY POLYMERS VIA SUPRAMOLECULARLY TEMPLATED MACROINITIATORS AND LIVING POLYMERIZATION AND METHODS FOR MAKING AND USING SAME THE UNIVERSITY OF HOUSTON SYSTEM (US) 2011-08-18 — — WO disclosed
US-20090121617-A1 ELECTRONIC DEVICES MADE WITH ELECTRON TRANSPORT AND/OR ANTI-QUENCHING LAYERS LG CHEM, LTD. (KR) 2009-05-14 — — US disclosed
US-20070267968-A1 ELECTRONIC DEVICES MADE WITH ELECTRON TRANSPORT AND/OR ANTI-QUENCHING LAYERS LECLOUX DANIEL D 2007-11-22 — — US disclosed
US-7265378-B2 Electronic devices made with electron transport and/or anti-quenching layers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-09-04 — — US disclosed
EP-0363643-A1 Pesticides based on partially different 2-aryl-substituted 1-10-phenanthrolines, and their preparation BAYER AG (DE) 1990-04-18 — — 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-20220119435-A1 COMPOSITIONS OF MECHANICALLY INTERLOCKED, TOPOLOGICALLY COMPLEX CROSSLINKERS AND POLYMERS AND METHODS OF MAKING AND USING SAME PCNA, SMC4, ERCC5 NPC1 4657/4885RAB9A 4102/4885ALDH1A1 4555/4885

“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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