SCHEMBL5873272

SCHEMBL5873272

C=CC(=O)OS(=O)(=O)CCCO

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ATR Q13535 1/20 0.30

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
SCHEMBL5873255 0.88 TSHR (0.45) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL4022753 0.82 TSHR (0.50) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL28136490 0.82 TSHR (0.36) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL10483633 0.81 TSHR (0.48) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL4629489 0.81 TSHR (0.48) TSHRALDH1A1CYP3A4HPGD
SCHEMBL23014503 0.79 TSHR (0.57) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL5873249 0.79 TSHR (0.43) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL28190586 0.78 TSHR (0.46) TSHRALDH1A1CYP3A4HPGD
SCHEMBL28189940 0.78 TSHR (0.46) TSHRALDH1A1CYP3A4HPGD
SCHEMBL2210406 0.78 TSHR (0.44) TSHRALDH1A1CYP3A4TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120164363-A1 Method for Preparing Styrene-Butadiene Copolymer Using Reactive Emulsifier and Styrene-Butadiene Copolymer Prepared By the Same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-28 US claimed
US-8530017-B2 Method for preparing styrene-butadiene copolymer using reactive emulsifier and styrene-butadiene copolymer prepared by the same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-09-10 US disclosed
US-20120164363-A1 Method for Preparing Styrene-Butadiene Copolymer Using Reactive Emulsifier and Styrene-Butadiene Copolymer Prepared By the Same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-28 US disclosed
US-7025816-B2 Anthraquinone dye and inkjet recording liquid KONICA MINOLTA HOLDINGS, INC. (JP) 2006-04-11 US disclosed
US-20050103226-A1 Anthraquinone dye and inkjet recording liquid KONICA MINOLTA HOLDINGS, INC. (JP) 2005-05-19 US disclosed
EP-0324476-A2 Silver halide color photosensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1989-07-19 EP 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-20050103226-A1 Anthraquinone dye and inkjet recording liquid MLLT3, GNPAT, IK TSHR 4871/4885ALDH1A1 154/4885CYP3A4 1858/4885

“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.