SCHEMBL985594

SCHEMBL985594

Cc1ccc(Cc2c3ccccc3c(Cc3ccc(C)cc3C)c3ccccc23)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
TNF P01375 1/20 0.41
NPC1 O15118 1/20 0.41
PYCR1 P32322 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL982672 0.84 GAA (0.47) CYP1A2CYP2A6RAB9ALMNATNF
SCHEMBL3299248 0.80 PYCR1 (0.47) CYP1A2CYP2A6RAB9ALMNASMN1; SMN2
SCHEMBL11323610 0.79 TAAR1 (0.43) RAB9ALMNASMN1; SMN2HTTTNF
SCHEMBL3301748 0.78 CYP3A4 (0.53) RAB9ALMNASMN1; SMN2HTTTNF
SCHEMBL28262947 0.77 CYP2A6 (0.43) CYP1A2CYP2A6RAB9ALMNASMN1; SMN2
SCHEMBL6546220 0.76 RAB9A (0.44) RAB9ALMNASMN1; SMN2HTTTNF
SCHEMBL9451516 0.74
SCHEMBL11194149 0.73 LMNA (0.48) RAB9ALMNASMN1; SMN2HTTTNF
SCHEMBL7460688 0.73 HSPA5 (0.59) CYP1A2RAB9ASMN1; SMN2HTTNPC1
SCHEMBL21323294 0.73 HTT (0.46) RAB9ALMNASMN1; SMN2HTTTNF

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786885-B1 ELECTROLUMINESCENT MATERIALS AND DEVICES MERCK PATENT GMBH (DE) 2011-05-18 EP claimed
US-20080113215-A1 Electroluminescent Materials and Devices MERCK PATENT GMBH (DE) 2008-05-15 US claimed
US-20070252108-A1 Electroluminescent Materials and Devices MERCK PATENT GMBH (DE) 2007-11-01 US claimed
EP-2984079-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2020-07-01 EP disclosed
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LIMITED (GB) 2019-10-08 US disclosed
US-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2018-11-08 US disclosed
EP-2232611-B1 BARRIER COATED SUBSTRATE AND ELECTRO-OPTICAL DEVICE MERCK PATENT GMBH (DE) 2017-11-01 EP disclosed
US-9437828-B2 Electroluminescent device using azomethine-lithium-complex as electron injection layer MERCK PATENT GMBH (DE) 2016-09-06 US disclosed
EP-2984079-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES Power Oleds Limited (GB) 2016-02-17 EP disclosed
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2016-02-04 US disclosed
US-9221770-B2 Compounds having electron transport properties, their preparation and use MERCK PATENT GMBH (DE) 2015-12-29 US disclosed
WO-2009090423-A1 BARRIER COATED SUBSTRATE AND ELECTRO-OPTICAL DEVICE MERCK PATENT GMBH (DE) 2009-07-23 WO disclosed
US-20090167158-A1 Electroluminescent Devices MERCK PATENT GMBH (DE) 2009-07-02 US disclosed
WO-2008081178-A1 ELECTROLUMINESCENT DEVICE USING AZOMETHINE-LITHIUM-COMPLEX AS ELECTRON INJECTION LAYER MERCK PATENT GMBH (DE) 2008-07-10 WO disclosed
WO-2008078114-A1 ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-07-03 WO disclosed
WO-2008078115-A1 PHENANTHROLINE COMPOUNDS AND ELECTROLUMINESCENT DEVICES USING THE SAME MERCK PATENT GMBH (DE) 2008-07-03 WO disclosed
US-20080113215-A1 Electroluminescent Materials and Devices MERCK PATENT GMBH (DE) 2008-05-15 US disclosed
US-20070252108-A1 Electroluminescent Materials and Devices MERCK PATENT GMBH (DE) 2007-11-01 US disclosed
EP-1786885-A1 ELECTROLUMINESCENT MATERIALS AND DEVICES OLED-T LIMITED (GB) 2007-05-23 EP disclosed
WO-2006016176-A1 ELECTROLUMINESCENT MATERIALS AND DEVICES OLED-T LIMITED (GB) 2006-02-16 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 (5 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-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 CYP1A2 296/4885CYP2A6 1385/4885RAB9A 913/4885
US-20070252108-A1 Electroluminescent Materials and Devices AAAS, ANXA1, ANXA2 CYP1A2 1707/4885CYP2A6 3902/4885RAB9A 690/4885
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices NAT1, SLCO2A1, SLCO2B1 CYP1A2 296/4885CYP2A6 1385/4885RAB9A 913/4885
US-20080113215-A1 Electroluminescent Materials and Devices AAAS, ACMSD, KCNH1 CYP1A2 1148/4885CYP2A6 3257/4885RAB9A 1205/4885
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 CYP1A2 296/4885CYP2A6 1385/4885RAB9A 913/4885

“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.