SCHEMBL9933284

SCHEMBL9933284

CCCCC(CC)COC(=O)CCNCCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.61
TSHR P16473 3/20 0.61
ATM Q13315 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
RECQL P46063 1/20 0.46
ALDH1A1 P00352 6/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 3/20 0.42
PAOX Q6QHF9 1/20 0.41
DNM1 Q05193 2/20 0.40
MAPK1 P28482 2/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9934509 0.90 CYP3A4 (0.61) CYP3A4TSHRATMTDP1RECQL
SCHEMBL17779514 0.89 CYP3A4 (0.71) CYP3A4TSHRATMTDP1RECQL
SCHEMBL18314760 0.88 CYP3A4 (0.73) CYP3A4TSHRATMTDP1RECQL
SCHEMBL18314802 0.88 CYP3A4 (0.73) CYP3A4TSHRATMTDP1RECQL
Acetic Acid SCHEMBL9932921 0.86 CYP3A4 (0.57) CYP3A4TSHRATMTDP1RECQL
SCHEMBL29268656 0.85 CYP3A4 (0.69) CYP3A4TSHRATMTDP1RECQL
SCHEMBL11668677 0.85 CYP3A4 (0.73) CYP3A4TSHRATMTDP1RECQL
SCHEMBL26969204 0.84 CYP3A4 (0.77) CYP3A4TSHRATMTDP1RECQL
SCHEMBL7775743 0.84 CYP3A4 (0.68) CYP3A4TSHRATMTDP1RECQL
SCHEMBL30792599 0.84 DNM1 (0.52) CYP3A4TSHRATMTDP1ALDH1A1

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
US-9458373-B2 Composition and method for reducing hydrate agglomeration ECOLAB USA INC. (US) 2016-10-04 US disclosed
US-9458373-B2 Composition and method for reducing hydrate agglomeration ECOLAB USA INC. (US) 2016-10-04 US disclosed
US-9458373-B2 Composition and method for reducing hydrate agglomeration ECOLAB USA INC. (US) 2016-10-04 US disclosed
EP-2651877-B1 COMPOSITION AND METHOD FOR REDUCING HYDRATE AGGLOMERATION NALCO CO (US) 2016-03-09 EP disclosed
US-8618025-B2 Composition and method for reducing hydrate agglomeration NALCO COMPANY (US) 2013-12-31 US disclosed
EP-2651877-A2 COMPOSITION AND METHOD FOR REDUCING HYDRATE AGGLOMERATION Nalco Company (US) 2013-10-23 EP disclosed
US-20120157351-A1 COMPOSITION AND METHOD FOR REDUCING HYDRATE AGGLOMERATION APERGY ESP SYSTEMS, LLC 2012-06-21 US disclosed
US-20120157351-A1 COMPOSITION AND METHOD FOR REDUCING HYDRATE AGGLOMERATION APERGY ESP SYSTEMS, LLC 2012-06-21 US disclosed
US-20120157351-A1 COMPOSITION AND METHOD FOR REDUCING HYDRATE AGGLOMERATION APERGY ESP SYSTEMS, LLC 2012-06-21 US disclosed
WO-2012082815-A2 COMPOSITION AND METHOD FOR REDUCING HYDRATE AGGLOMERATION NALCO COMPANY (US) 2012-06-21 WO 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-20120157351-A1 COMPOSITION AND METHOD FOR REDUCING HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AQP1, AQP3 CYP3A4 2227/4885TSHR 3665/4885ATM 3045/4885

“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.