SCHEMBL4298143

SCHEMBL4298143

CCOC(=O)C(C)(C)SC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
PIN1 Q13526 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RECQL P46063 1/20 0.46
MMP8 P22894 1/20 0.46
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL18113310 0.87 KMT2A (0.40) POLBNPSR1KMT2ANPC1MEN1
SCHEMBL164403 0.84 POLB (0.49) POLBNPSR1KMT2ANPC1MEN1
SCHEMBL18113313 0.84 CYP3A4 (0.54) NPSR1KMT2AALDH1A1MAPTGAA
SCHEMBL18113246 0.84 ALDH1A1 (0.43) POLBKMT2ANPC1MEN1ALDH1A1
SCHEMBL18113214 0.83 MAPT (0.46) POLBNPSR1KMT2AALDH1A1MAPT
SCHEMBL18113093 0.82 PLK1 (0.43) POLBKMT2ANPC1ALDH1A1RECQL
SCHEMBL18113285 0.80 RARB (0.46) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL6232005 0.78 POLB (0.56) POLBNPSR1KMT2ANPC1MEN1
SCHEMBL18113275 0.78 ALDH1A1 (0.50) POLBNPSR1KMT2AMEN1PIN1
SCHEMBL18113289 0.78 POLB (0.46) POLBNPSR1KMT2ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109982719-A Self-assembling diblock copolymers comprised of PEGMEMA and drug-loaded polymer segments RS研究教育咨询医学工业贸易股份有限公司 2019-07-05 CN disclosed
EP-3277736-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-03-27 EP disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
US-7615661-B2 Thioester compounds and their use in fragrance or flavor applications INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-11-10 US disclosed
US-7615661-B2 Thioester compounds and their use in fragrance or flavor applications INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-11-10 US disclosed
US-7615661-B2 Thioester compounds and their use in fragrance or flavor applications INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-11-10 US disclosed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 US disclosed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 US disclosed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 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-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS ACOT7, PPT1, LYPLA1 POLB 4406/4885NPSR1 2222/4885KMT2A 2297/4885

“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.