SCHEMBL510443

SCHEMBL510443

O=C(O)CCc1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
FFAR1 O14842 7/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
FBP1 P09467 1/20 0.44
KEAP1 Q14145 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL19182414 0.84 CYP1A2 (0.47) GSTP1GSTM2CA2THRATHRB
SCHEMBL10982297 0.81 ATM (0.50) GSTP1GSTM2FFAR1CA1CA2
SCHEMBL8790409 0.81 TSHR (0.55) GSTP1GSTM2FFAR1FFAR4RAB9A
SCHEMBL3687250 0.80 THRA (0.43) FFAR1THRATHRBFBP1ESR1
SCHEMBL3533309 0.79 POLB (0.51) GSTP1GSTM2FFAR1CA1CA2
SCHEMBL29999641 0.79 POLB (0.51) GSTP1GSTM2FFAR1CA1CA2
SCHEMBL28671318 0.79 CYP19A1 (0.43) CA2MAPT
SCHEMBL15248984 0.78 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL5484599 0.78 LMNA (0.56) GSTP1GSTM2FFAR1FBP1FFAR4
SCHEMBL8781834 0.78 LMNA (0.55) GSTP1GSTM2FFAR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170893-B1 MICROBIOCIDAL ANIONIC SEQUESTERANTS WITH POLYVALENT METAL CATIONS FOR PERMEABILITY CORRECTION PROCESS PHILLIPS PETROLEUM COMPANY (US) 1989-08-30 EP claimed
US-4629747-A INCLUDES CROSSLINKABLE WATER SOLUBLE POLYMER PHILLIPS PETROLEUM COMPANY (US) 1986-12-16 US claimed
EP-0170893-A1 Microbiocidal anionic sequesterants with polyvalent metal cations for permeability correction process PHILLIPS PETROLEUM COMPANY (US) 1986-02-12 EP claimed
US-4552217-A Microbiocidal anionic sequesterants with polyvalent metal cations for permeability correction process PHILLIPS PETROLEUM COMPANY (US) 1985-11-12 US claimed
CN-107532075-B Oil and gas treatment compositions comprising hydroxyethyl cellulose and crosslinked polyvinylpyrrolidone 赫尔克里士有限公司 2022-03-08 CN disclosed
US-10973228-B2 Eco-friendly non-aqueous antimicrobial composition comprising hinokitiol with 1,3-propanediol and/or sorbitan caprylate ISP INVESTMENTS LLC (US) 2021-04-13 US disclosed
US-10113099-B2 High pressure high temperature (HPHT) aqueous drilling mud composition and process for preparing the same ISP INVESTMENTS LLC (US) 2018-10-30 US disclosed
EP-2879492-B1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING HINOKITIOL WITH 1,3-PROPANEDIOL OR SORBITAN CAPRYLATE ISP INVESTMENTS INC (US) 2018-10-03 EP disclosed
EP-2879499-B1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING TROPOLONE WITH 1,3-PROPANEDIOL OR SORBITAN CAPRYLATE ISP INVESTMENTS INC (US) 2018-09-26 EP disclosed
US-9969921-B2 Oil and gas treatment composition comprising hydroxyethyl cellulose and crosslinked polyvinylpyrrolidone HERCULES LLC (US) 2018-05-15 US disclosed
EP-3268445-A1 AN OIL AND GAS TREATMENT COMPOSITION COMPRISING HYDROXYETHYL CELLULOSE AND CROSSLINKED POLYVINYLPYRROLIDONE Hercules LLC (US) 2018-01-17 EP disclosed
US-20160264836-A1 OIL AND GAS TREATMENT COMPOSITION COMPRISING HYDROXYETHYL CELLULOSE AND CROSSLINKED POLYVINYLPYRROLIDONE HERCULES INCORPORATED (US) 2016-09-15 US disclosed
WO-2012068455-A1 A STABLE AND AQUEOUS CONCENTRATED PRESERVATIVE COMPOSITION OF DEHYDROACETIC ACID (DHA) AND METHYLISOTHIAZOLINONE (MIT) ISP INVESTMENTS INC. (US) 2012-05-24 WO disclosed
US-20120027964-A1 INKJET-RECEPTIVE ARTICLE HERCULES LLC 2012-02-02 US disclosed
WO-2011085067-A1 AQUEOUS-MISCIBLE OR AQUEOUS-DISPERSIBLE, VOC-FREE BIOCIDAL COMPOSITIONS FOR THE ENHANCED INHIBITION OF GRAM-NEGATIVE BACTERIAL STRAINS, AND METHOD OF PREPARING THE SAME ISP INVESTMENT INC. (US) 2011-07-14 WO disclosed
EP-0170893-B1 MICROBIOCIDAL ANIONIC SEQUESTERANTS WITH POLYVALENT METAL CATIONS FOR PERMEABILITY CORRECTION PROCESS PHILLIPS PETROLEUM COMPANY (US) 1989-08-30 EP disclosed
CN-85101452-A But proofread and correct sterilization anionic sequestering agent and multivalent metal cation that permeability is used 1987-04-01 CN disclosed
US-4629747-A INCLUDES CROSSLINKABLE WATER SOLUBLE POLYMER PHILLIPS PETROLEUM COMPANY (US) 1986-12-16 US disclosed
EP-0170893-A1 Microbiocidal anionic sequesterants with polyvalent metal cations for permeability correction process PHILLIPS PETROLEUM COMPANY (US) 1986-02-12 EP disclosed
US-4552217-A Microbiocidal anionic sequesterants with polyvalent metal cations for permeability correction process PHILLIPS PETROLEUM COMPANY (US) 1985-11-12 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-10973228-B2 Eco-friendly non-aqueous antimicrobial composition comprising hinokitiol with 1,3-propanediol and/or sorbitan caprylate EBP, TRPV1, TES GSTP1 864/4885GSTM2 1621/4885FFAR1 263/4885

“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.