SCHEMBL4957339

SCHEMBL4957339

CCC(C)(C(=O)OC)C(C)(C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.55
SRC P12931 1/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL4953286 0.82 KCNN4 (0.58) KCNN4SRCNR1H2NR1H3CYP2C19
SCHEMBL4955974 0.78 KCNN4 (0.62) KCNN4SRCNR1H2NR1H3CYP2C19
SCHEMBL27382896 0.77 KCNN4 (0.60) KCNN4SRCNR1H2NR1H3CYP2C19
SCHEMBL4014494 0.77 KCNN4 (0.60) KCNN4SRCNR1H2NR1H3CYP2C19
SCHEMBL21659699 0.77 KCNN4 (0.60) KCNN4SRCNR1H2NR1H3CYP2C19
SCHEMBL11228441 0.77 KCNN4 (0.60) KCNN4SRCNR1H2NR1H3CYP2C19
SCHEMBL16732336 0.77 POLB (0.61) KCNN4SRCNR1H2NR1H3CYP2C19
SCHEMBL4965119 0.76 KCNN4 (0.55) KCNN4SRCNR1H2NR1H3CYP2C19
SCHEMBL8410004 0.76 KCNN4 (0.55) KCNN4SRCNR1H2NR1H3CYP2C19
SCHEMBL10982127 0.75 KCNN4 (0.58) KCNN4SRCNR1H2NR1H3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10006151-B2 Polyurethane fiber TORAY OPELONTEX CO., LTD. (JP) 2018-06-26 US disclosed
EP-2947185-B1 POLYURETHANE FIBER AND ITS USE TORAY OPELONTEX CO LTD (JP) 2018-02-28 EP disclosed
US-20160002827-A1 POLYURETHANE FIBER TORAY OPELONTEX CO., LTD. (JP) 2016-01-07 US disclosed
EP-2947185-A1 POLYURETHANE FIBER Toray Opelontex Co., Ltd (JP) 2015-11-25 EP disclosed
US-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 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-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES DSC1, DSG1, PIEZO1 KCNN4 1617/4885SRC 3324/4885NR1H2 1351/4885

“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.