SCHEMBL3188698

SCHEMBL3188698

COC1=C(Br)C(=O)OC1Cc1c(O)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 5/20 0.43
ALOX12 P18054 1/20 0.43
HIF1A Q16665 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 8/20 0.41
MEN1 O00255 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SIRT1 Q96EB6 2/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2218400 0.66 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29625706 0.65 CYP1A2 (0.71) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL23515386 0.65 CYP1A2 (0.71) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL21438254 0.65 KDM4E (0.66) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30019941 0.64 HSD17B10 (0.51) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3361843 0.64 HSD17B10 (0.70) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL226196 0.63 HSD17B10 (0.76) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL36762 0.63 HSD17B10 (1.00) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29357214 0.63 HSD17B10 (1.00) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3272925 0.62 HSD17B10 (0.68) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1

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 4 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-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-20050054721-A1 3-Aryl-4-Hydroxyfuranone compounds and the human and animal health use thereof WYETH (US) 2005-03-10 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 (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 HSD17B10 214/4885CYP1A2 509/4885CYP2C9 604/4885
US-20090036439-A1 3-ARYL-4-HYDROXYFURANONE COMPOUNDS AND THE HUMAN AND ANIMAL HEALTH USE THEREOF FUCA1, PGLS, HSD17B14 HSD17B10 214/4885CYP1A2 509/4885CYP2C9 604/4885

“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.