SCHEMBL2914736

SCHEMBL2914736

CC(C)COC=CC(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL7684656 1.00 TSHR (0.38) TSHRALDH1A1
SCHEMBL2832059 0.78 TSHR (0.38) TSHRALDH1A1
SCHEMBL3520653 0.78 TSHR (0.33) TSHR
Hydrochloric Acid SCHEMBL27492785 0.78 HCAR2 (0.39) TSHRALDH1A1
SCHEMBL7206488 0.77 TSHR (0.55) TSHRALDH1A1
SCHEMBL7680695 0.77 TSHR (0.55) TSHRALDH1A1
SCHEMBL28512095 0.75 LMNA (0.33) ALDH1A1
SCHEMBL94661 0.75
SCHEMBL30072729 0.75
SCHEMBL94662 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127050-B1 METHOD FOR PRODUCING 1-SUBSTITUTED 5-HYDROXYPYRAZOLES BASF SE (DE) 2010-08-25 EP disclosed
EP-1131299-B1 METHOD FOR PRODUCING 1-SUBSTITUTED 5- OR 3-HYDROXYPYRAZOLES BASF AG (DE) 2003-09-17 EP disclosed
EP-1131298-B1 METHOD FOR THE PRODUCTION OF 1-SUBSTITUTED 5-HYDROXYPYRAZOLES BASF AG (DE) 2003-09-03 EP disclosed
US-6600071-B2 Starting materials or intermediates and the cyclization of these under suitable reaction conditions to give compounds of the formula I. The intermediates of the formula II are novel. for argrochemicals BASF AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-20030109717-A1 Preparation of substituted hydroxypyrazoles GOTZ NORBERT (DE) 2003-06-12 US disclosed
US-6472538-B1 HIGH YIELD COUPLING, HYDROGENATION AND CYCLIZATION TO FORM CHEMICAL INTERMEDIATES FOR HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed
US-6392058-B1 REACTING AN ALKYL VINYL ETHER WITH PHOSGENE; FORMING ACYL CHLORIDE; ESTERIFICATION; REACTING WITH HYDRAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed
US-6329530-B1 REACTING ALKYL VINYL ETHER WITH PHOSGENE OR PHOSGENE DERIVATIVE TO FORM ACYL CHLORIDE DERIVATIVE; DEHYDROCHLORIANTING TO FORM 3-ALKOXYACRYLOYL CHLORIDE COMPOUND; REACTING WITH ALKYLHYDRAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-12-11 US disclosed
EP-1131298-A2 METHOD FOR THE PRODUCTION OF 1-SUBSTITUTED 5-HYDROXYPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
EP-1131299-A2 METHOD FOR PRODUCING 1-SUBSTITUTED 5- OR 3-HYDROXYPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
WO-2000031041-A2 METHOD FOR THE PRODUCTION OF 1-SUBSTITUTED 5-HYDROXYPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO disclosed
WO-2000031042-A2 METHOD FOR PRODUCING 1-SUBSTITUTED 5- OR 3-HYDROXYPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO 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-20030109717-A1 Preparation of substituted hydroxypyrazoles CYC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS TSHR 2159/4885ALDH1A1 290/4885

“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.