Sugi Predict

Sugi Predict / Compounds / SCHEMBL756904

SCHEMBL756904

SCHEMBL756904

COCCOC(=O)c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.70
▸ TSHR P16473 3/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ CHRM1 P11229 1/20 0.70
▸ SLC6A2 P23975 1/20 0.70
▸ KDR P35968 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ NR1H2 P55055 1/20 0.66
▸ RNASEL Q05823 1/20 0.66
▸ NPC1 O15118 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ ESR2 Q92731 3/20 0.63
▸ CA12 O43570 2/20 0.63

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
SCHEMBL9001430 0.95 ESR1 (0.64) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL9969969 0.92 TSHR (0.64) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL132567 0.90 ESR1 (0.77) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL22271508 0.89 ESR1 (0.72) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL26246258 0.87 ESR1 (0.70) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL7754634 0.87 ESR1 (0.70) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL9928660 0.86 CYP3A4 (0.66) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL16640624 0.86 MAPT (0.60) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL12754945 0.85 SMN1; SMN2 (0.56) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL19400961 0.85 ALDH1A1 (0.70) ESR1TSHRALDH1A1CHRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150316844-A1 CURABLE COMPOSITION AND COLOR FILTER FUJIFILM CORPORATION (JP) 2015-11-05 — — US disclosed
US-20150316844-A1 CURABLE COMPOSITION AND COLOR FILTER FUJIFILM CORPORATION (JP) 2015-11-05 — — US disclosed
US-9068082-B2 Colored curable composition and color filter FUJIFILM CORPORATION (JP) 2015-06-30 — — US disclosed
US-9068082-B2 Colored curable composition and color filter FUJIFILM CORPORATION (JP) 2015-06-30 — — US disclosed
US-20150108086-A1 COLORED CURABLE COMPOSITION AND COLOR FILTER FUJIFILM CORPORATION (JP) 2015-04-23 — — US disclosed
US-20150108086-A1 COLORED CURABLE COMPOSITION AND COLOR FILTER FUJIFILM CORPORATION (JP) 2015-04-23 — — US disclosed
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 — — US disclosed
US-20110076613-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND METHOD FOR PRODUCING THE SAME, AND RELIEF PRINTING PLATE AND METHOD FOR MAKING THE SAME FUJIFILM CORPORATION (JP) 2011-03-31 — — US disclosed
US-20110076613-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND METHOD FOR PRODUCING THE SAME, AND RELIEF PRINTING PLATE AND METHOD FOR MAKING THE SAME FUJIFILM CORPORATION (JP) 2011-03-31 — — US disclosed
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 — — US disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 — — US disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 — — US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 — — US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 — — US disclosed
US-5496854-A CYCLOPENTADIENYL TITANIUM COMPOUNDS WITH ESTER GROUPS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 1996-03-05 — — US disclosed
EP-0655913-A4 NOVEL METALLOCENES AS ANTI-TUMOR DRUGS. KEINAN EHUD (US) 1995-08-16 — — EP disclosed
EP-0655913-A1 NOVEL METALLOCENES AS ANTI-TUMOR DRUGS KEINAN, Ehud (US) 1995-06-07 — — EP disclosed
WO-1994004142-A1 NOVEL METALLOCENES AS ANTI-TUMOR DRUGS KEINAN EHUD (US) 1994-03-03 — — WO disclosed
US-4503244-A Sebosuppressive topical cosmetic preparations containing alkoxybenzoic acid esters, process for inhibiting sebum production and alkoxybenzoic acid esters HENKEL KOMMANDITGESELLSCHAFT (DE) 1985-03-05 — — US disclosed
US-4145342-A NITRO-DIPHENYLAMINO-AZO-PHENYL DYESTUFFS CONTAINING A POLYALKYENEOXY GROUP BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 — — 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-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 ESR1 3124/4885TSHR 4509/4885ALDH1A1 1276/4885

“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.