SCHEMBL6743389

SCHEMBL6743389

O=[C]c1ccc(O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P4HB P07237 2/20 0.41
ESR1 P03372 7/20 0.38
ESR2 Q92731 7/20 0.38
HSD17B1 P14061 5/20 0.38
HSD17B2 P37059 4/20 0.38
SNCA P37840 1/20 0.38
SHBG P04278 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MGLL Q99685 1/20 0.34
AR P10275 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL7710176 0.81 HNF4A (0.42) KDM4ELMNAHSD17B10P4HBESR1
SCHEMBL910546 0.78 APP (0.43) KDM4ELMNAHSD17B10CA6CA9
SCHEMBL97003 0.78 GRM5 (0.46)
SCHEMBL200168 0.77 P4HB (0.51) P4HBESR1ESR2CA3CA6
SCHEMBL14307269 0.77 ESR1 (0.44) KDM4ELMNAHSD17B10P4HBESR1
SCHEMBL29826346 0.77 P4HB (0.51) P4HBESR1ESR2CA3CA6
SCHEMBL2552386 0.73 SLC2A1 (0.35)
SCHEMBL7152669 0.73 GAA (0.47) KDM4ELMNAHSD17B10CA9
SCHEMBL7160560 0.73 HSD17B10 (0.50) LMNAHSD17B10ESR1ESR2HSD17B1
SCHEMBL1044275 0.73 HDAC1 (0.41) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2019-03-07 US disclosed
EP-2536698-B1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-06-10 EP disclosed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 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-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 KDM4E 3040/4885LMNA 1648/4885HSD17B10 3011/4885
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE KDM4E 4465/4885LMNA 1476/4885HSD17B10 4048/4885

“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.