SCHEMBL5481711

SCHEMBL5481711

CCOC(=O)COP(=O)(CC)OCC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
PPARD Q03181 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TRPA1 O75762 1/20 0.40
NLRP3 Q96P20 7/20 0.38
CYP1A2 P05177 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
SCHEMBL10395205 0.84 TSHR (0.60) TSHRMGAMGAASIMGAM2
SCHEMBL15438304 0.82 TSHR (0.46) TSHRMGAMGAASIMGAM2
SCHEMBL13537806 0.82 GAA (0.44) TSHRMGAMGAASIMGAM2
SCHEMBL11087789 0.81 TSHR (0.56) TSHRMGAMGAASIMGAM2
SCHEMBL19512090 0.79 GAA (0.46) TSHRMGAMGAASIMGAM2
SCHEMBL10785310 0.79 TSHR (0.65) TSHRPPARD
SCHEMBL28821812 0.79 TSHR (0.65) TSHRPPARDALDH1A1
SCHEMBL8683146 0.79 TSHR (0.56) TSHRMGAMGAASIMGAM2
SCHEMBL9844531 0.78 TSHR (0.62) TSHRPPARD
SCHEMBL5961215 0.78 TSHR (1.00) TSHRGAAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0102115-B1 POLYESTER-ESTER URETHANE AKZO N.V. (NL) 1987-06-10 EP claimed
EP-0159053-A1 Polyester-ester urethane AKZO N.V. (NL) 1985-10-23 EP claimed
US-4483970-A BLOCK POLYMERS, MOLDING MATERIALS AKZO N.V. (NL) 1984-11-20 US claimed
EP-0102115-A1 Polyester-ester urethane AKZO N.V. (NL) 1984-03-07 EP claimed
US-20070249862-A1 Process for the Production of Polyisocyanate/Polysilicic Acid Based Resins with Widely Variable Processability and Setting Periods CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2007-10-25 US disclosed
US-6660764-B2 Telomerase inhibitors such as trans-3-(benzothien-6-yl)-but-2-enoic acid-N-(2-carboxy-phenyl)-amide; use as antitumor agent BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-09 US disclosed
US-20020123509-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-05 US disclosed
US-5191113-A Enzyme inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1993-03-02 US disclosed
EP-0291247-B1 NOVEL CINNAMOYLAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 EP disclosed
US-5093366-A Alpha-reductase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1992-03-03 US disclosed
US-5037852-A Treating or reverting hair loss, acne or prostatic hypertrophy ONO PHARMACEUTICAL CO., LTD. (JP) 1991-08-06 US disclosed
EP-0291247-A2 Novel cinnamoylamide derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-11-17 EP disclosed
US-4493846-A Bicyclooctane derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-01-15 US disclosed
EP-0036730-B1 BICYCLOOCTANE DERIVATIVES, PROCESSES FOR PRODUCING THEM, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE AS PHARMACEUTICALS AND PRECURSORS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-01-02 EP disclosed
US-4483970-A BLOCK POLYMERS, MOLDING MATERIALS AKZO N.V. (NL) 1984-11-20 US disclosed
EP-0102115-A1 Polyester-ester urethane AKZO N.V. (NL) 1984-03-07 EP disclosed
EP-0013461-B1 PROCESS FOR THE PREPARATION OF A SEGMENTED THERMOPLASTIC ELASTOMER AKZO N.V. (NL) 1983-04-06 EP disclosed
EP-0036730-A2 Bicyclooctane derivatives, processes for producing them, pharmaceutical compositions containing them, their use as pharmaceuticals and precursors thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-09-30 EP disclosed
EP-0013461-A1 Process for the preparation of a segmented thermoplastic elastomer AKZO N.V. (NL) 1980-07-23 EP disclosed
US-4021461-A INSECTICIDES ZOECON CORPORATION (US) 1977-05-03 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-20020123509-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof ASS1, ADCY1, ADCY3 TSHR 2412/4885MGAM 2620/4885GAA 344/4885
US-20070249862-A1 Process for the Production of Polyisocyanate/Polysilicic Acid Based Resins with Widely Variable Processability and Setting Periods ME1, PICALM, CA6 TSHR 3941/4885MGAM 20/4885GAA 545/4885

“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.