SCHEMBL3094604

SCHEMBL3094604

Cc1ccc(OCCO)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 2/20 0.55
TP53 P04637 3/20 0.47
USP2 O75604 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
PRSS1 P07477 8/20 0.46
SLC6A4 P31645 5/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL16372541 0.90 ALDH1A1 (0.49) ALDH1A1CYP3A4TP53USP2POLB
SCHEMBL6740328 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4TP53USP2POLB
SCHEMBL2426952 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4TP53USP2POLB
SCHEMBL9596753 0.82 L3MBTL1 (0.51) ALDH1A1CYP3A4USP2POLBMAPT
SCHEMBL1755484 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4TP53USP2POLB
SCHEMBL12280900 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4TP53USP2POLB
SCHEMBL8385763 0.81 CYP1A2 (0.59) ALDH1A1CYP3A4TP53USP2POLB
SCHEMBL35916 0.81 MAPT (0.65) ALDH1A1TP53USP2POLBMAPT
SCHEMBL29358757 0.81 MAPT (0.65) ALDH1A1TP53USP2POLBMAPT
SCHEMBL7056362 0.81 L3MBTL1 (0.55) ALDH1A1MAPTKDM4EMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384302-B2 Methods for preparing fuel additives BP OIL INTERNATIONAL LIMITED (GB) 2022-07-12 US disclosed
US-11359151-B2 Methods for preparing fuel additives BP OIL INTERNATIONAL LIMITED (GB) 2022-06-14 US disclosed
WO-2020260417-A1 METHODS FOR PREPARING BENZOXAZINES BP OIL INTERNATIONAL LIMITED (GB) 2020-12-30 WO disclosed
WO-2020260418-A1 METHODS FOR PREPARING BENZOXAZINES BP OIL INTERNATIONAL LIMITED (GB) 2020-12-30 WO disclosed
US-20200332211-A1 Methods for Preparing Fuel Additives BP OIL INTERNATIONAL LIMITED (GB) 2020-10-22 US disclosed
US-20200332210-A1 Methods for Preparing Fuel Additives BP OIL INTERNATIONAL LIMITED (GB) 2020-10-22 US disclosed
WO-2020127390-A1 METHODS FOR PREPARING COMPOUNDS BP OIL INTERNATIONAL LIMITED (GB) 2020-06-25 WO disclosed
WO-2020127386-A1 METHODS FOR PREPARING INTERMEDIATES BP OIL INTERNATIONAL LIMITED (GB) 2020-06-25 WO disclosed
WO-2020127385-A1 METHODS FOR PREPARING COMPOUNDS BP OIL INTERNATIONAL LIMITED (GB) 2020-06-25 WO disclosed
US-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst L'OREAL (FR) 2019-04-09 US disclosed
EP-0887386-A1 Method for dyeing or printing cellulose-containing fibre-materials and new reactive dyes Ciba Specialty Chemicals Holding Inc. (CH) 1998-12-30 EP disclosed
EP-0595768-B1 Azo dyestuffs, process for their preparation and the use thereof CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
EP-0514330-B1 Azodyes CIBA GEIGY AG (CH) 1996-07-17 EP disclosed
US-5527889-A FOR DYEING OR PRINTING NATURAL OR SYNTHETIC POLYAMIDES CIBA-GEIGY CORPORATION (US) 1996-06-18 US disclosed
US-5420258-A FOR DYEING OR PRINTING OF NITROGEN CONTAINING OR HYDROXYL GROUP CONTAINING FIBER MATERIALS CIBA-GEIGY CORPORATION (US) 1995-05-30 US disclosed
EP-0595768-A1 Azo dyestuffs, process for their preparation and the use thereof CIBA-GEIGY AG (CH) 1994-05-04 EP disclosed
EP-0586339-A1 Azo dyes, process for their preparation and the use thereof CIBA-GEIGY AG (CH) 1994-03-09 EP disclosed
US-5225545-A Colorfast CIBA-GEIGY CORPORATION (US) 1993-07-06 US disclosed
EP-0514330-A1 Azodyes CIBA-GEIGY AG (CH) 1992-11-19 EP disclosed
US-4749784-A Alkanol substituted disazo orange dye for nylon CROMPTON & KNOWLES CORPORATION (US) 1988-06-07 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 (5 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-20200332210-A1 Methods for Preparing Fuel Additives GSDMD, DEGS1, SCD ALDH1A1 1552/4885CYP3A4 989/4885TP53 4052/4885
US-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst KRT18, CYB5R3, CBR3 ALDH1A1 444/4885CYP3A4 545/4885TP53 805/4885
US-20200332211-A1 Methods for Preparing Fuel Additives GSDMD, SCD, FADS1 ALDH1A1 1572/4885CYP3A4 729/4885TP53 3930/4885
US-11359151-B2 Methods for preparing fuel additives GSDMD, SCD, FADS1 ALDH1A1 1572/4885CYP3A4 729/4885TP53 3930/4885
US-11384302-B2 Methods for preparing fuel additives GSDMD, DEGS1, SCD ALDH1A1 1552/4885CYP3A4 989/4885TP53 4052/4885

“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.