SCHEMBL4562598

SCHEMBL4562598

[CH2]C(CCCCCCCCCCCC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
CSNK1E P49674 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
NAAA Q02083 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
KCNH2 Q12809 2/20 0.41
ASAH1 Q13510 2/20 0.41
CYP19A1 P11511 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ACER2 Q5QJU3 1/20 0.40
POLB P06746 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
SCHEMBL28188141 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL19260197 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL7568454 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL27654305 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL6060853 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL1024126 0.98 SIGMAR1 (0.44) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL536902 0.92 POLB (0.45) HTR2ASIGMAR1NAAAOPRM1OPRD1
SCHEMBL28574691 0.84 NPC1 (0.43) HTR2ANAAAALDH1A1
SCHEMBL6395339 0.83 POLB (0.40) HTR2ASIGMAR1NAAAOPRM1OPRD1
SCHEMBL135231 0.83 AOC3 (0.46) HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638186-B1 METHOD AND COMPOSITION FOR PREVENTING CORROSION OF METAL SURFACES CHAMPION TECH LTD (GB) 2020-03-04 EP disclosed
US-10000641-B2 Method and composition for preventing corrosion of metal surfaces ECOLAB USA INC. (US) 2018-06-19 US disclosed
EP-2638186-A1 METHOD AND COMPOSITION FOR PREVENTING CORROSION OF METAL SURFACES Champion Technologies Ltd. (GB) 2013-09-18 EP disclosed
US-20130228095-A1 METHOD AND COMPOSITION FOR PREVENTING CORROSION OF METAL SURFACES CHAMPION TECHNOLOGIES LTD (GB) 2013-09-05 US disclosed
WO-2012063055-A1 METHOD AND COMPOSITION FOR PREVENTING CORROSION OF METAL SURFACES CHAMPION TECHNOLOGIES LTD (GB) 2012-05-18 WO disclosed
CN-1919830-A Alkyl substituent phenalkylamines and application thereof LIU CHUNDE (CN) 2007-02-28 CN disclosed
US-20060062753-A1 Polymeric quaternary ammonium salts useful as corrosion inhibitors and biocides CHAMPION TECHNOLOGIES, INC. 2006-03-23 US disclosed
US-4686208-A Phosphorylated glycosyl-amides, -ureas, -carbamates and -thiocarbamates and method of use BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
US-4057554-A CORROSION INHIBITORS PETROLITE CORPORATION (US) 1977-11-08 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-20060062753-A1 Polymeric quaternary ammonium salts useful as corrosion inhibitors and biocides USP21, BCHE, ASPH HTR2A 3512/4885CSNK1E 3374/4885SIGMAR1 1671/4885

“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.