SCHEMBL198708

SCHEMBL198708

CCCC[CH]SCCCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
ALDH1A1 P00352 1/20 0.39
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.30

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
SCHEMBL11305350 0.92 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL198776 0.92 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL199316 0.90 TSHR (0.44) TSHRLMNATHRB
SCHEMBL198595 0.90 TSHR (0.44) TSHRLMNATHRB
SCHEMBL200105 0.90 TSHR (0.44) TSHRLMNATHRB
SCHEMBL201898 0.90 TSHR (0.44) TSHRLMNATHRB
SCHEMBL199219 0.90 TSHR (0.44) TSHRLMNATHRB
SCHEMBL198801 0.90 TSHR (0.44) TSHRLMNATHRB
SCHEMBL199886 0.90 TSHR (0.44) TSHRLMNATHRB
SCHEMBL200095 0.90 TSHR (0.44) TSHRLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 US disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2011-02-24 US disclosed
WO-2010111822-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO disclosed
WO-2010112452-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO disclosed
US-7718377-B2 Insulin resistance curative and method of screening the same KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-05-18 US disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
US-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
EP-2029573-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2009-03-04 EP disclosed
US-4803223-A ANTITUMOR AGENTS TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-02-07 US disclosed
EP-0293718-A2 Substituted aminophenyl carbamate BAYER AG (DE) 1988-12-07 EP disclosed
EP-0192242-A1 Substituted aminophenylurea derivatives TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-27 EP disclosed
US-4598147-A THIAZOLE INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-01 US disclosed
EP-0049539-B1 THIAZOLE DERIVATIVES FOR PREPARING CEPHEM COMPOUNDS AND PROCESSES FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-16 EP disclosed
EP-0007633-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-04-18 EP disclosed
US-4372952-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-08 US disclosed
EP-0049539-A1 Thiazole derivatives for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-14 EP disclosed
US-4284631-A 7-Substituted cephem compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
EP-0007633-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-06 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 (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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 TSHR 1062/4885ALDH1A1 627/4885NOS3 1618/4885
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 TSHR 1618/4885ALDH1A1 4792/4885NOS3 2610/4885

“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.