SCHEMBL284111

SCHEMBL284111

CC(C)Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.45
PTGS2 P35354 4/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX5 P09917 1/20 0.45
RARB P10826 1/20 0.45
ADRB3 P13945 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
NR1I3 Q14994 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
CXCL8 P10145 1/20 0.45
TSHR P16473 1/20 0.45
AKR1C2 P52895 1/20 0.45
BLM P54132 1/20 0.45

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
Hydrochloric Acid SCHEMBL9176923 0.98 PTGS1 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
Bromide SCHEMBL9178738 0.98 PTGS1 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL361556 0.91 PTGS1 (0.40) PTGS1PTGS2LMNACYP2C9AKR1C3
Hydrochloric Acid SCHEMBL31093481 0.89 PTGS1 (0.39) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL12748731 0.89 PTGS1 (0.43) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL2913839 0.86 SLC6A4 (0.56)
SCHEMBL423511 0.86 TSHR (0.51) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL29973812 0.84 PTGS1 (0.36) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL12770147 0.84 PTGS1 (0.43) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL29408470 0.84 PTGS1 (0.36) PTGS1PTGS2LMNACYP2C9AKR1C3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63275530-A None JP disclosed
JP-63275532-A None JP disclosed
JP-63275527-A None JP disclosed
CN-117098610-A Method for producing an optical effect layer comprising magnetic or magnetizable pigment particles and exhibiting more than one marking 锡克拜控股有限公司 2023-11-21 CN disclosed
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-0470651-B1 1,2-Di(4-isobutylphenyl) ethane and its preparation and use as intermediate NIPPON PETROCHEMICALS CO LTD (JP) 1995-08-02 EP disclosed
EP-0293633-B1 1,2-DI(4-ISOBUTYLPHENYL)ETHYLENE AND ITS PREPARATION AND USE AS INTERMEDIATE NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-03-10 EP disclosed
EP-0290050-A1 Method for producing alkylstyrene NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-11-09 EP disclosed
EP-0129956-B1 PROCESS FOR ARYLATING UNSATURATED COMPOUNDS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-07-08 EP disclosed
EP-0119067-B1 PROCESS FOR PREPARING ALDEHYDES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1986-11-26 EP disclosed
US-4607116-A FROM DIARYLIODONIUM SALT NIPPON PETROCHEMICALS COMPANY LIMITED (JP) 1986-08-19 US disclosed
EP-0119065-B1 PROCESS FOR PREPARING DIARYLS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1986-08-13 EP disclosed
US-4590281-A REACTING DIARYLIODONIUM SALT WITH UNSATURATED ALCOHOL NIPPON PETROCHEMICALS COMPANY (JP) 1986-05-20 US disclosed
US-4554360-A DIARYLIODONIUM SALT, IODOARENE, COUPLING NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-11-19 US disclosed
EP-0129956-A1 Process for arylating unsaturated compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-01-02 EP disclosed
EP-0119065-A1 Process for preparing diaryls NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-09-19 EP disclosed
EP-0119067-A1 Process for preparing aldehydes NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-09-19 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 PTGS1 3451/4885PTGS2 3250/4885LMNA 4649/4885

“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.