SCHEMBL631900

SCHEMBL631900

Oc1cc(O)c2c(c1)oc1ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.75
GAA P10253 3/20 0.75
SI P14410 3/20 0.75
MGAM2 Q2M2H8 3/20 0.75
ESR2 Q92731 3/20 0.64
MAOA P21397 10/20 0.56
FASN P49327 2/20 0.56
ATP1A1 P05023 1/20 0.53
ATP1B1 P05026 1/20 0.53
ATP1A3 P13637 1/20 0.53
ATP1B2 P14415 1/20 0.53
ATP1A2 P50993 1/20 0.53
ATP1B3 P54709 1/20 0.53
FXYD2 P54710 1/20 0.53
ATP1A4 Q13733 1/20 0.53
CA12 O43570 3/20 0.52
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
MMP1 P03956 1/20 0.50
PTPN1 P18031 1/20 0.50

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
SCHEMBL5713721 0.92 MGAM (0.65) MGAMGAASIMGAM2ESR2
SCHEMBL30346407 0.86 MGAM (1.00) MGAMGAASIMGAM2ESR2
SCHEMBL2314333 0.86 MGAM (1.00) MGAMGAASIMGAM2ESR2
SCHEMBL28020193 0.84 MGAM (0.97) MGAMGAASIMGAM2ESR2
SCHEMBL3881299 0.81 GAA (0.57) MGAMGAASIMGAM2ESR2
SCHEMBL3879158 0.81 MGAM (0.57) MGAMGAASIMGAM2ESR2
SCHEMBL21583437 0.81 AHR (0.55) MGAMGAASIMGAM2ESR2
SCHEMBL29004378 0.81 GAA (0.53) MGAMGAASIMGAM2ESR2
SCHEMBL10431846 0.81 MAOA (0.78) MGAMGAASIMGAM2ESR2
SCHEMBL15951021 0.80 MGAM (0.55) MGAMGAASIMGAM2ESR2

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-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-28 US disclosed
EP-1441011-B1 Energy transfer dye containing an aromatic-substituted xanthene dye as donor dye and/or acceptor dye LIFE TECHNOLOGIES CORP (US) 2012-02-22 EP disclosed
EP-1441011-B1 Energy transfer dye containing an aromatic-substituted xanthene dye as donor dye and/or acceptor dye LIFE TECHNOLOGIES CORP (US) 2012-02-22 EP disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US disclosed
EP-1441011-A1 Energy transfer dye containing an aromatic-substituted xanthene dye as donor dye and/or acceptor dye Applera Corporation (US) 2004-07-28 EP disclosed
EP-1019453-B1 AROMATIC-SUBSTITUTED XANTHENE DYES APPLERA CORP (US) 2004-03-31 EP disclosed
EP-1019453-A1 AROMATIC-SUBSTITUTED XANTHENE DYES THE PERKIN-ELMER CORPORATION (US) 2000-07-19 EP disclosed
US-6008379-A USEFUL AS FLUORESCENT DYES FOR LABELING THE PERKIN-ELMER CORPORATION (US) 1999-12-28 US disclosed
WO-1999016832-A1 AROMATIC-SUBSTITUTED XANTHENE DYES THE PERKIN-ELMER CORPORATION (US) 1999-04-08 WO 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 MGAM 2266/4885GAA 3637/4885SI 786/4885
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS PIEZO1, OR10J3, TMEM109 MGAM 1701/4885GAA 1650/4885SI 4808/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MGAM 2266/4885GAA 3637/4885SI 786/4885

“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.