SCHEMBL2400345

SCHEMBL2400345

CCOCCOCCC[O]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.39
THRB P10828 2/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 4/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL10938071 1.00 TSHR (0.42) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL5176031 0.94 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL4267544 0.94 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL4396035 0.94 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL4863 0.94
SCHEMBL4395126 0.92 TSHR (0.41) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL21435871 0.92
SCHEMBL7335503 0.90 THRB (0.43) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL11222954 0.90 THRB (0.43) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL4393806 0.89 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976185-B1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM ST FONDAZIONE DI ONCOLOGIA MOLECOLARE ETS (IT) 2024-02-14 EP disclosed
EP-3976185-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) 2022-04-06 EP disclosed
WO-2020245213-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2020-12-10 WO disclosed
EP-3216796-B1 PHOSPHONIUM COMPOUND AND PRODUCTION METHOD THEREFOR UNIV TOHOKU (JP) 2020-08-19 EP disclosed
US-20180030074-A1 PHOSPHONIUM COMPOUND AND PRODUCTION METHOD THEREFOR TOHOKU UNIVERSITY (JP) 2018-02-01 US disclosed
EP-3216796-A1 PHOSPHONIUM COMPOUND AND PRODUCTION METHOD THEREFOR Tohoku University (JP) 2017-09-13 EP disclosed
US-8017670-B2 Epoxy resin composition for optical-semiconductor encapsulation, cured resin thereof, and optical semiconductor device obtained with the same NITTO DENKO CORPORATION (JP) 2011-09-13 US disclosed
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-20100041799-A2 Epoxy Resin Composition for Optical-Semiconductor Encapsulation, Cured Resin Thereof, and Optical Semiconductor Device Obtained with the same NITTO DENKO CORPORATION (JP) 2010-02-18 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
EP-0628607-A2 Naphthalocyanine BASF Aktiengesellschaft (DE) 1994-12-14 EP disclosed
EP-0619346-A1 Lacquered tris-or tetracationic polymethin dyes BASF Aktiengesellschaft (DE) 1994-10-12 EP disclosed
WO-1994021471-A1 INK RIBBONS CONTAINING COMPOUNDS ABSORBING IN THE IR REGION BASF AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed
WO-1994002570-A1 USE OF COMPOUNDS WHICH ABSORB AND/OR FLUORESCE IN THE I/R RANGE AS MARKERS FOR LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 1994-02-03 WO disclosed
US-5282894-A Use of a liquid containing IR dyes as printing ink BASF AKTIENGESELLSCHAFT (DE) 1994-02-01 US disclosed
EP-0561639-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 1993-09-22 EP disclosed
EP-0553614-A1 Use of infrared dyes containing liquid as a printing ink BASF Aktiengesellschaft (DE) 1993-08-04 EP disclosed
US-5205838-A LIQUID DYE PREPARATIONS: BIS PHENYL-AZO-RESORCINOL IN SOLVENT FOR COLORED RIBBON OR BALL PEN INK BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
EP-0501167-A1 Liquid dye preparations BASF Aktiengesellschaft (DE) 1992-09-02 EP disclosed
US-4386935-A Process for producing discharge reserve prints on textile materials with amino-azo-benzene dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1983-06-07 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 (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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 TSHR 3610/4885ALDH1A1 4231/4885CYP3A4 2777/4885
US-20180030074-A1 PHOSPHONIUM COMPOUND AND PRODUCTION METHOD THEREFOR PHPT1, PHOSPHO1, WEE1 TSHR 1193/4885ALDH1A1 1544/4885CYP3A4 1540/4885

“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.