SCHEMBL863542

SCHEMBL863542

CN(Cc1ccccc1)c1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
AOC3 Q16853 1/20 0.47
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL5545430 0.92 CRHBP (0.53) TSHRALDH1A1NR1H2NR1H3CRHBP
SCHEMBL11881187 0.85 NR1H2 (0.62) TSHRALDH1A1NR1H2NR1H3CRHBP
SCHEMBL642317 0.85 CRHBP (0.61) TSHRALDH1A1NR1H2NR1H3CRHBP
Hydrochloric Acid SCHEMBL27388371 0.83 CRHBP (0.59) TSHRALDH1A1NR1H2NR1H3CRHBP
Nitrogen SCHEMBL4600396 0.81 CRHBP (0.58) TSHRALDH1A1NR1H2NR1H3CRHBP
SCHEMBL10464560 0.81 PYCR1 (0.43) TSHRALDH1A1CRHBPCRHR2AOC3
SCHEMBL10054994 0.81 CRHBP (0.67) TSHRALDH1A1NR1H2NR1H3CRHBP
SCHEMBL921192 0.79 NR1H2 (0.46) TSHRALDH1A1NR1H2NR1H3CRHBP
SCHEMBL2103973 0.79 CYP2C19 (0.59) TSHRALDH1A1NR1H2NR1H3CRHBP
SCHEMBL2645780 0.79 ALDH1A1 (0.54) TSHRALDH1A1AOC3CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 CN disclosed
CN-110494501-B Phthalocyanine compound and use thereof 山本化成株式会社 2022-04-19 CN disclosed
US-11015061-B2 Phthalocyanine-based compound and uses of same YAMAMOTO CHEMICALS, INC. (JP) 2021-05-25 US disclosed
CN-112154167-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-12-29 CN disclosed
CN-111315828-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-06-19 CN disclosed
WO-2020071470-A1 PHTHALOCYANINE COMPOUND AND USE THEREOF 山本化成株式会社 2020-04-09 WO disclosed
US-20200032066-A1 PHTHALOCYANINE-BASED COMPOUND AND USES OF SAME YAMAMOTO CHEMICALS, INC. (JP) 2020-01-30 US disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
US-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 US disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 WO disclosed
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US disclosed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 WO disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 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-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC TSHR 3212/4885ALDH1A1 604/4885NR1H2 4480/4885
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE TSHR 3960/4885ALDH1A1 779/4885NR1H2 93/4885

“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.