SCHEMBL18411946

SCHEMBL18411946

C/C=c1\c(=C(C)C)sc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.43
▸ KDM4E B2RXH2 8/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ MEN1 O00255 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ ALOX15 P16050 2/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL21254327 0.80 GPR3 (0.35) GPR3KDM4ELMNACASP1ALDH1A1
SCHEMBL23205290 0.80 ALDH1A1 (0.38) GPR3KDM4ELMNACASP1MEN1
SCHEMBL19658375 0.76 GPR3 (0.46) GPR3KDM4ELMNACASP1MEN1
SCHEMBL24078454 0.74 GPR3 (0.44) GPR3KDM4ELMNACASP1MEN1
SCHEMBL23544032 0.74 GPR3 (0.36) GPR3KDM4ELMNACASP1MEN1
SCHEMBL18698185 0.72 GPR3 (0.46) GPR3KDM4ELMNACASP1MEN1
SCHEMBL18560415 0.70 GPR3 (0.40) GPR3KDM4ELMNACASP1MEN1
SCHEMBL20663041 0.69 GPR3 (0.35) GPR3KDM4ELMNACASP1MAPT
SCHEMBL24609172 0.69 GPR3 (0.39) GPR3KDM4ELMNACASP1MEN1
SCHEMBL17950785 0.69 GPR3 (0.39) GPR3KDM4ELMNACASP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419960-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-01 — — EP disclosed
US-20190131547-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS UDC IRELAND LTD (IE) 2019-05-02 — — US disclosed
US-20170025627-A1 SILYL-BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE AS HOST FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2017-01-26 — — 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-20190131547-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS AZI2, BRPF1, CCNB1 GPR3 3925/4885KDM4E 1361/4885LMNA 3149/4885
US-20170025627-A1 SILYL-BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE AS HOST FOR ORGANIC LIGHT EMITTING DIODES CCNI, SLCO4C1, SLCO2A1 GPR3 4192/4885KDM4E 1708/4885LMNA 1702/4885

“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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