SCHEMBL5271027

SCHEMBL5271027

Cc1ccc(NCCO)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
TRPA1 O75762 1/20 0.45
CXCR2 P25025 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 4/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAPK1 P28482 3/20 0.39

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
SCHEMBL2201889 0.85 GAA (0.45) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL3875798 0.82 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL11211267 0.80 CYP3A4 (0.50) KMT2AMEN1KDM4EALDH1A1TRPA1
SCHEMBL1497919 0.79 HDAC6 (0.58) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL11474259 0.78 GUCY1A1 (0.54) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL8466778 0.78 KMT2A (0.44) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL14028455 0.78 MEN1 (0.44) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL20714731 0.78 KDM4E (0.46) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL8285542 0.78 MEN1 (0.44) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL24443647 0.77 TSHR (0.41) KMT2AMEN1KDM4EALDH1A1HSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11359151-B2 Methods for preparing fuel additives BP OIL INTERNATIONAL LIMITED (GB) 2022-06-14 US disclosed
US-11359151-B2 Methods for preparing fuel additives BP OIL INTERNATIONAL LIMITED (GB) 2022-06-14 US disclosed
WO-2020260418-A1 METHODS FOR PREPARING BENZOXAZINES BP OIL INTERNATIONAL LIMITED (GB) 2020-12-30 WO disclosed
WO-2020260417-A1 METHODS FOR PREPARING BENZOXAZINES BP OIL INTERNATIONAL LIMITED (GB) 2020-12-30 WO disclosed
CN-112041305-A Method for producing a fuel additive 英国石油国际有限公司 2020-12-04 CN disclosed
EP-3732170-A1 METHODS FOR PREPARING FUEL ADDITIVES BP Oil International Limited (GB) 2020-11-04 EP disclosed
US-20200332211-A1 Methods for Preparing Fuel Additives BP OIL INTERNATIONAL LIMITED (GB) 2020-10-22 US disclosed
US-20200332211-A1 Methods for Preparing Fuel Additives BP OIL INTERNATIONAL LIMITED (GB) 2020-10-22 US disclosed
EP-1406577-B1 NOVEL COUPLER COMPONENTS FOR OXIDATIVE HAIR COLOURING HENKEL KGAA (DE) 2007-10-10 EP 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 (2 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-20200332211-A1 Methods for Preparing Fuel Additives GSDMD, SCD, FADS1 KMT2A 2671/4885MEN1 3642/4885KDM4E 2867/4885
US-11359151-B2 Methods for preparing fuel additives GSDMD, SCD, FADS1 KMT2A 2671/4885MEN1 3642/4885KDM4E 2867/4885

“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.