SCHEMBL16925834

SCHEMBL16925834

O=c1oc2cc3c(cc2c2ccccc12)[nH]c1ccccc13

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.58
▸ F2 P00734 1/20 0.50
▸ CFD P00746 1/20 0.50
▸ LMNA P02545 4/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ PPARG P37231 2/20 0.49
▸ NCOA2 Q15596 2/20 0.49
▸ ALDH2 P05091 1/20 0.49
▸ NCOR2 Q9Y618 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ CDK5 Q00535 3/20 0.46
▸ GPR3 P46089 2/20 0.46
▸ HSD17B10 Q99714 2/20 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
SCHEMBL16925861 0.94 AHR (0.53) AHRF2CFDLMNANPSR1
SCHEMBL16925709 0.89 AHR (0.56) AHRF2CFDLMNANPSR1
SCHEMBL16915116 0.83 AHR (0.56) AHRF2CFDLMNANPSR1
SCHEMBL16925772 0.83 AHR (0.56) AHRF2CFDLMNANPSR1
SCHEMBL29890056 0.81 AHR (0.64) AHRKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL29519982 0.81 AHR (0.64) AHRKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1635861 0.81 AHR (0.64) AHRKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL16925955 0.79 KIF11 (0.53) AHRF2CFDALDH2KMT2A
SCHEMBL26773449 0.77 F2 (0.54) F2CFDLMNANPSR1RXFP1
SCHEMBL12219476 0.76 AHR (1.00) AHRLMNAKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000694-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-06-19 — — US disclosed
US-10000694-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-06-19 — — US disclosed
EP-3094703-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-02-07 — — EP disclosed
US-20160326429-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-11-10 — — US disclosed
WO-2015106789-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-07-23 — — 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-10000694-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM AHR 3056/4885F2 2556/4885CFD 2906/4885
US-20160326429-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM AHR 3056/4885F2 2556/4885CFD 2906/4885

“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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