SCHEMBL3390402

SCHEMBL3390402

CCOP(=O)(Cc1cccc(CP(=O)(OCC)OCC)c1)OCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.46
CDK9 P50750 5/20 0.46
HDAC1 Q13547 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.41
NPY5R Q15761 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL5301923 0.94 POLB (0.45) CCNT1CDK9HDAC1TSHRMAPT
SCHEMBL9502876 0.91 CCNT1 (0.42) CCNT1CDK9HDAC1TSHRMAPT
SCHEMBL3922951 0.91 CCNT1 (0.42) CCNT1CDK9HDAC1TSHRMAPT
SCHEMBL1831290 0.89 IDO1 (0.44) CCNT1CDK9HDAC1MAPTHTT
SCHEMBL29427115 0.89 IDO1 (0.44) CCNT1CDK9HDAC1MAPTHTT
SCHEMBL9445966 0.88 TAAR1 (0.46) CCNT1CDK9HDAC1
SCHEMBL914611 0.88 XIAP (0.41) CCNT1CDK9HDAC1
SCHEMBL478915 0.88 CCNT1 (0.56) CCNT1CDK9HDAC1NPY5R
SCHEMBL1305912 0.88 CYP3A4 (0.43) CCNT1CDK9HDAC1MAPT
SCHEMBL1307260 0.88 IDO1 (0.43) CCNT1CDK9HDAC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410116-B2 Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-04-02 US disclosed
US-8410116-B2 Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-04-02 US disclosed
US-8410116-B2 Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-04-02 US disclosed
US-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-29 US disclosed
US-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-29 US disclosed
US-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-29 US disclosed
US-6316591-B1 FOR USE IN LIGHTING OR DISPLAY DEVICES; SOLID-STATE LIGHT SOURCES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-13 US disclosed
US-5242908-A Of dna and rna HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-07 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 (1 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-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT PSEN1, APP, BACE1 CCNT1 167/4885CDK9 1033/4885HDAC1 3604/4885

“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.