SCHEMBL3188685

SCHEMBL3188685

COC1=C(Br)C(=O)OC1C(O)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PNKP Q96T60 1/20 0.34
ACP3 P15309 1/20 0.34
AOC3 Q16853 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CASR P41180 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL3188698 0.65 HSD17B10 (0.43) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL5610075 0.65 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19ACP3
SCHEMBL29222050 0.64 ACP3 (0.44) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL5608953 0.64 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL5608955 0.64 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL28337644 0.64 ALDH1A1 (0.46) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7299447 0.64 ALDH1A1 (0.46) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28337647 0.64 ALDH1A1 (0.46) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9950214 0.62 ALDH1A1 (0.62) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19514728 0.62 ALDH1A1 (0.62) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666904-B2 3-aryl-4-hydroxyfuranone compounds and the human and animal health use thereof WYETH LLC (US) 2010-02-23 US disclosed
US-7666904-B2 3-aryl-4-hydroxyfuranone compounds and the human and animal health use thereof WYETH LLC (US) 2010-02-23 US disclosed
US-7666904-B2 3-aryl-4-hydroxyfuranone compounds and the human and animal health use thereof WYETH LLC (US) 2010-02-23 US disclosed
US-7495027-B2 3-aryl-4-hydroxyfuranone compounds and the human and animal health use thereof WYETH (US) 2009-02-24 US disclosed
US-7495027-B2 3-aryl-4-hydroxyfuranone compounds and the human and animal health use thereof WYETH (US) 2009-02-24 US disclosed
US-7495027-B2 3-aryl-4-hydroxyfuranone compounds and the human and animal health use thereof WYETH (US) 2009-02-24 US disclosed
US-20090036439-A1 3-ARYL-4-HYDROXYFURANONE COMPOUNDS AND THE HUMAN AND ANIMAL HEALTH USE THEREOF WYETH (US) 2009-02-05 US disclosed
US-20090036439-A1 3-ARYL-4-HYDROXYFURANONE COMPOUNDS AND THE HUMAN AND ANIMAL HEALTH USE THEREOF WYETH (US) 2009-02-05 US disclosed
US-20090036439-A1 3-ARYL-4-HYDROXYFURANONE COMPOUNDS AND THE HUMAN AND ANIMAL HEALTH USE THEREOF WYETH (US) 2009-02-05 US disclosed
EP-1654244-A1 3-ARYL-4-HYDROXYFURANONE COMPOUNDS AND PHARMACEUTICAL AND VETERINARY COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-05-10 EP disclosed
US-20050054721-A1 3-Aryl-4-Hydroxyfuranone compounds and the human and animal health use thereof WYETH (US) 2005-03-10 US disclosed
WO-2005019196-A1 3-ARYL-4-HYDROXYFURANONE COMPOUNDS AND PHARMACEUTICAL AND VETERINARY COMPOSITIONS CONTAINING THEM WYETH (US) 2005-03-03 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 (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-20050054721-A1 3-Aryl-4-Hydroxyfuranone compounds and the human and animal health use thereof FUCA1, PGLS, HSD17B14 KMT2A 4285/4885MEN1 2296/4885ALDH1A1 1161/4885
US-20090036439-A1 3-ARYL-4-HYDROXYFURANONE COMPOUNDS AND THE HUMAN AND ANIMAL HEALTH USE THEREOF FUCA1, PGLS, HSD17B14 KMT2A 4285/4885MEN1 2296/4885ALDH1A1 1161/4885

“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.