SCHEMBL3404899

SCHEMBL3404899

CCCCOC(=O)c1cc(O)cc(C(=O)OCCCC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.72
TSHR P16473 3/20 0.69
LMNA P02545 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP2D6 P10635 1/20 0.69
MAPK1 P28482 1/20 0.69
NR1H2 P55055 1/20 0.69
RNASEL Q05823 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
AKR1C4 P17516 1/20 0.63
AKR1C3 P42330 1/20 0.63
AKR1C2 P52895 1/20 0.63
AKR1C1 Q04828 1/20 0.63
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61

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
SCHEMBL19433118 0.96 ESR1 (0.72) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1547661 0.95 ESR1 (0.71) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL14790189 0.93 ESR1 (0.64) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7991514 0.93 ESR1 (0.73) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7998229 0.93 ESR1 (0.73) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7994855 0.93 ESR1 (0.73) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7994946 0.93 ESR1 (0.73) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7994799 0.93 ESR1 (0.73) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7991491 0.93 ESR1 (0.73) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7980640 0.93 ESR1 (0.73) ESR1TSHRLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133466-B1 A PROCESS FOR THE PREPARATION OF N,N'-BIS 2, 3-DIHYDROXYPROPYL] -5-[(HYDROXYACETYL) METHYLAMINO]-2, 4,6-TRIIODO-1, 3-BENZENEDI CARBOXAMIDE BRACCO INT BV (NL) 2003-08-20 EP claimed
US-6420603-B1 ESTERIFICATION OF 5-HYDROXYISOPHTHALIC ACID, AMIDATION WITH ISOSERINOL, IODINATION AND ALKYLATION BRACCO INTERNATIONAL B.V. (NL) 2002-07-16 US claimed
CN-112479888-B Compound, polymer, patterning material, patterning method, and method for manufacturing semiconductor device 铠侠股份有限公司 2023-12-08 CN disclosed
CN-112479888-A Compound, polymer, pattern forming material, pattern forming method, and method for manufacturing semiconductor device 铠侠股份有限公司 2021-03-12 CN disclosed
US-20170183277-A1 MOLECULAR SIEVES MEDIATED UNSATURATED HYDROCARBON SEPARATION AND RELATED COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-06-29 US disclosed
US-20170081466-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2017-03-23 US disclosed
EP-2254850-B1 PROCESS FOR THE IODINATION OF AROMATIC COMPOUNDS BRACCO IMAGING SPA (IT) 2016-06-22 EP disclosed
US-9193659-B2 Process for the iodination of aromatic compounds BRACCO IMAGING S.P.A. (IT) 2015-11-24 US disclosed
EP-2580187-B1 Process for the iodination of phenolic derivatives BRACCO IMAGING SPA (IT) 2015-05-27 EP disclosed
US-8766003-B2 Process for the iodination of phenolic derivatives BRACCO IMAGING S.P.A. (IT) 2014-07-01 US disclosed
US-8766003-B2 Process for the iodination of phenolic derivatives BRACCO IMAGING S.P.A. (IT) 2014-07-01 US disclosed
EP-2254850-A2 PROCESS FOR THE IODINATION OF AROMATIC COMPOUNDS Bracco Imaging S.p.A (IT) 2010-12-01 EP disclosed
WO-2009103666-A2 PROCESS FOR THE IODINATION OF AROMATIC COMPOUNDS BRACCO IMAGING SPA (IT) 2009-08-27 WO disclosed
EP-2093206-A1 Process for the iodination of aromatic compounds BRACCO IMAGING S.p.A. (IT) 2009-08-26 EP disclosed
WO-2004071376-A2 ORAL CARE COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT UNILEVER N.V. (NL) 2004-08-26 WO disclosed
US-20040141929-A1 Composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-07-22 US disclosed
US-20040141928-A1 Composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-07-22 US disclosed
WO-2004047782-A1 ORAL COMPOSITIONS COMPRISING SALTS OF ALKYL HYDROXYBENZOATES UNILEVER N.V. (NL) 2004-06-10 WO disclosed
EP-1133466-B1 A PROCESS FOR THE PREPARATION OF N,N'-BIS 2, 3-DIHYDROXYPROPYL] -5-[(HYDROXYACETYL) METHYLAMINO]-2, 4,6-TRIIODO-1, 3-BENZENEDI CARBOXAMIDE BRACCO INT BV (NL) 2003-08-20 EP disclosed
US-6420603-B1 ESTERIFICATION OF 5-HYDROXYISOPHTHALIC ACID, AMIDATION WITH ISOSERINOL, IODINATION AND ALKYLATION BRACCO INTERNATIONAL B.V. (NL) 2002-07-16 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 (3 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-20040141929-A1 Composition NHERF1, C1R, CFH ESR1 2717/4885TSHR 1106/4885LMNA 2128/4885
US-20040141928-A1 Composition CPT1A, EBP, UQCRC1 ESR1 3177/4885TSHR 3238/4885LMNA 695/4885
US-20170183277-A1 MOLECULAR SIEVES MEDIATED UNSATURATED HYDROCARBON SEPARATION AND RELATED COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS ORAI2, ORAI3, KCNJ2 ESR1 208/4885TSHR 4062/4885LMNA 664/4885

“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.