SCHEMBL7121347

SCHEMBL7121347

C=C(OCC(C)C)C(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 1/20 0.31
APEX1 P27695 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 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
SCHEMBL27670944 0.81 TSHR (0.46) TSHRALDH1A1TDP1L3MBTL1
SCHEMBL7678018 0.79 TSHR (0.68) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL2832061 0.77 TSHR (0.54) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL6757078 0.77 TSHR (0.65) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL14890738 0.76 TSHR (0.58) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL20358992 0.76 TSHR (0.57) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL8386082 0.75
SCHEMBL1745 0.75
SCHEMBL28441915 0.74 TSHR (0.55) TSHRALDH1A1SMN1; SMN2MAPTHSD17B10
Hydrochloric Acid SCHEMBL28817307 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 290/4885TDP1 2303/4885

“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.