SCHEMBL282600

SCHEMBL282600

CCCCCCCCCCCC(I)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

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
CNR2 P34972 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
SCHEMBL5214468 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL6680534 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL28560209 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL11545835 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL6683678 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL6686368 0.98 SIGMAR1 (0.44) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL5034682 0.92 POLB (0.45) HTR2ASIGMAR1NAAAOPRM1OPRD1
SCHEMBL3477567 0.83 AOC3 (0.46) HTR2ASIGMAR1
SCHEMBL15144138 0.83 HRH1 (0.44) HTR2ASIGMAR1
SCHEMBL4740370 0.81 SIGMAR1 (0.62) HTR2ACSNK1ESIGMAR1NAAACYP19A1

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
EP-2428501-B1 DIARYLIODONIUM SALT MIXTURE AND PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF DIARYLIODONIUM COMPOUND NIPPON CATALYTIC CHEM IND (JP) 2018-12-12 EP disclosed
US-8975203-B2 Diaryliodonium salt mixture and process for production thereof, and process for production of diaryliodonium compound NIPPON SHOKUBAI CO., LTD. (JP) 2015-03-10 US disclosed
EP-2428501-A1 DIARYL IODONIUM SALT MIXTURE AND PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF DIARYL IODONIUM COMPOUND Nippon Shokubai Co., Ltd. (JP) 2012-03-14 EP disclosed
US-20120053048-A1 Diaryliodonium salt mixture and process for production thereof, and process for production of diaryliodonium compound NIPPON SHOKUBAI CO., LTD. (JP) 2012-03-01 US disclosed
EP-0003183-B1 PROPOXYLATED ETHOXYLATED SURFACTANTS AND METHOD OF RECOVERING OIL THEREWITH Exxon Production Research Company (US) 1982-03-31 EP disclosed
US-4293428-A Propoxylated ethoxylated surfactants and method of recovering oil therewith EXXON PRODUCTION RESEARCH COMPANY (US) 1981-10-06 US disclosed
EP-0003183-A1 Propoxylated ethoxylated surfactants and method of recovering oil therewith Exxon Production Research Company (US) 1979-07-25 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-20120053048-A1 Diaryliodonium salt mixture and process for production thereof, and process for production of diaryliodonium compound SPIN4, SALL4, DBF4 HTR2A 4599/4885CSNK1E 1586/4885SIGMAR1 3881/4885

“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.