SCHEMBL503551

SCHEMBL503551

CCC(=O)OCCC(C)S

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
GAA P10253 1/20 0.37
HTT P42858 1/20 0.35
CYP19A1 P11511 1/20 0.35
CHRNB2 P17787 5/20 0.34
CHRNA4 P43681 5/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DGKA P23743 1/20 0.33
DNM1 Q05193 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL9420807 0.88 NAAA (0.53) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL28653975 0.84 NAAA (0.48) NAAAGAAHTTCYP19A1CHRNB2
SCHEMBL2876492 0.83 DGKA (0.44) NAAACYP19A1CHRNB2CHRNA4CHRNB4
SCHEMBL6361385 0.83 CYP19A1 (0.35) CYP19A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28572438 0.82 NAAA (0.50) NAAAGAAHTTCYP19A1CHRNB2
SCHEMBL21518280 0.82 NAAA (0.50) NAAAGAAHTTCYP19A1CHRNB2
SCHEMBL126952 0.82 NAAA (0.50) NAAAGAAHTTCYP19A1CHRNB2
SCHEMBL22127640 0.80 NAAA (0.48) NAAAGAAHTTCYP19A1CHRNB2
SCHEMBL447819 0.80 NAAA (0.48) NAAAGAAHTTCYP19A1CHRNB2
SCHEMBL11092924 0.80 NAAA (0.48) NAAAGAAHTTCYP19A1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715943-A Low energy nanoemulsion polymerization with low surfactant levels 巴斯夫欧洲公司 2024-03-15 CN disclosed
EP-2529794-B1 Fixative polymer compatible with hair styling composition ROHM & HAAS (US) 2020-09-09 EP disclosed
US-9302126-B2 Fixative polymer compatible with hair styling composition ROHM AND HAAS COMPANY 2016-04-05 US disclosed
EP-2106784-B1 Hair styling composition ROHM & HAAS (US) 2015-04-22 EP disclosed
US-8828360-B2 Hair styling compositions with improved clarity and humidity resistance ROHM AND HAAS COMPANY (US) 2014-09-09 US disclosed
US-8815223-B2 Hair styling composition ROHM AND HAAS COMPANY (US) 2014-08-26 US disclosed
EP-2529794-A2 Fixative polymer compatible with hair styling composition Rohm and Haas Company (US) 2012-12-05 EP disclosed
US-20120240953-A1 HAIR STYLING COMPOSITION ROHM AND HAAS COMPANY 2012-09-27 US disclosed
US-8241616-B2 Hair styling composition ROHM AND HAAS COMPANY (US) 2012-08-14 US disclosed
EP-2433614-A2 Hair styling compositions with improved clarity and humidity resistance Rohm and Haas Company (US) 2012-03-28 EP disclosed
US-20120039819-A1 HAIR STYLING COMPOSITIONS WIYH IMPROVED CLARITY AND HUMIDITY RESISTANCE ROHM AND HAAS COMPANY 2012-02-16 US disclosed
US-20120027711-A1 FIXATIVE POLYMER COMPATIABLE WITH HAIR STYLING COMPOSITION ROHM AND HAAS COMPANY 2012-02-02 US disclosed
US-20090252689-A1 Hair styling composition ROHM AND HAAS COMPANY 2009-10-08 US disclosed
EP-2106784-A2 Hair styling composition Rohm and Haas Company (US) 2009-10-07 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-20120027711-A1 FIXATIVE POLYMER COMPATIABLE WITH HAIR STYLING COMPOSITION POLR1C, ACR, NACA NAAA 987/4885GAA 3632/4885HTT 118/4885

“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.