SCHEMBL4851263

SCHEMBL4851263

O=C(O)c1c(I)cccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 2/20 0.40
TPMT P51580 2/20 0.40
ACMSD Q8TDX5 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3034481 0.85 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL29549363 0.85 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL10415716 0.85 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL29263747 0.84 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1265740 0.84 CES2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL953775 0.84 ALDH1A1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3405052 0.84 MMP2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL31695392 0.84 CES2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL14661744 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL936574 0.84 TDP1 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181076-A Preparation method of 2, 6-dihalogenated methyl benzoate 维思普新材料(苏州)有限公司 2022-03-15 CN claimed
EP-3631442-A1 FUNCTIONLIZED CALIBRANTS FOR SPECTROMETRY AND CHROMATOGRAPHY The Administrators of The Tulane Educational Fund (US) 2020-04-08 EP claimed
WO-2018222593-A1 FUNCTIONLIZED CALIBRANTS FOR SPECTROMETRY AND CHROMATOGRAPHY THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2018-12-06 WO claimed
US-12146028-B2 Iodo-functionalized polymers as mass spectrometry calibrants with a mass-defect offset POLYMER FACTORY SWEDEN AB (SE) 2024-11-19 US disclosed
US-20240128067-A1 FUNCTIONALIZED CALIBRANTS FOR SPECTROMETRY AND CHROMATOGRAPHY POLYMER FACTORY SWEDEN AB (SE) 2024-04-18 US disclosed
US-11862446-B2 Functionalized calibrants for spectrometry and chromatography POLYMER FACTORY SWEDEN AB (SE) 2024-01-02 US disclosed
US-11829068-B2 Resist composition, method of forming resist pattern, compound, and resin TOKYO OHKA KOGYO CO., LTD. (JP) 2023-11-28 US disclosed
US-11829068-B2 Resist composition, method of forming resist pattern, compound, and resin TOKYO OHKA KOGYO CO., LTD. (JP) 2023-11-28 US disclosed
US-20230250229-A1 IODO-FUNCTIONALIZED POLYMERS AS MASS SPECTROMETRY CALIBRANTS WITH A MASS-DEFECT OFFSET POLYMER FACTORY SWEDEN AB (SE) 2023-08-10 US disclosed
US-20230176481-A1 FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-06-08 US disclosed
US-11639419-B2 Iodo-functionalized polymers as mass spectrometry calibrants with a mass-defect offset THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2023-05-02 US disclosed
EP-0313150-B1 PROCESS FOR THE PREPARATION OF FUNCTIONALIZED POLYMERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-09-02 EP disclosed
EP-0282142-B1 PROCESS FOR THE CARBONYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS WITH A PALLADIUM CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-11 EP disclosed
US-4970266-A Process for the preparation of functionalized polymers SHELL OIL COMPANY (US) 1990-11-13 US disclosed
US-4927892-A Process for the preparation of functionalized polymers SHELL OIL COMPANY (US) 1990-05-22 US disclosed
EP-0235864-B1 PROCESS FOR THE CARBONYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS WITH A PALLADIUM CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-05-16 EP disclosed
EP-0313150-A1 Process for the preparation of functionalized polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-04-26 EP disclosed
US-4786443-A Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL OIL COMPANY (US) 1988-11-22 US disclosed
EP-0282142-A1 Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-09-14 EP disclosed
EP-0235864-A1 Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-09-09 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 (2 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-11862446-B2 Functionalized calibrants for spectrometry and chromatography SRMS, PTMS, CYCS CA12 18/4885CA1 74/4885CA2 1603/4885
US-20240128067-A1 FUNCTIONALIZED CALIBRANTS FOR SPECTROMETRY AND CHROMATOGRAPHY SRMS, PTMS, CYCS CA12 18/4885CA1 74/4885CA2 1603/4885

“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.