SCHEMBL7867773

SCHEMBL7867773

Cc1c(C)c2c(c(C)c1O)C1c3c(C)c(O)c(C)c(C)c3OC1O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.42
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NUAK1 O60285 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
SRC P12931 1/20 0.31
AXL P30530 1/20 0.31
KDR P35968 1/20 0.31
NEK2 P51955 1/20 0.31
PTK2 Q05397 1/20 0.31
AURKB Q96GD4 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL3759452 0.68 ALOX5 (0.39) ALOX5
SCHEMBL13052438 0.67 ALOX5 (0.38) ALOX5
SCHEMBL6900210 0.65 ALOX5 (0.44) ALOX5ESR1ESR2NUAK1IGF1R
SCHEMBL8780350 0.65 ALOX5 (0.36) ALOX5
SCHEMBL8780352 0.65 ALOX5 (0.36) ALOX5
Durohydroquinone SCHEMBL69786 0.64 ALOX5 (0.38) ALOX5
SCHEMBL8778668 0.63 ALOX5 (0.35) ALOX5
SCHEMBL8778673 0.62 ALOX5 (0.34) ALOX5ESR1ESR2
SCHEMBL6904469 0.61 ALOX5 (0.36) ALOX5
SCHEMBL6905384 0.61 ALOX5 (0.44) ALOX5ESR1ESR2NUAK1IGF1R

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-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-11-25 US disclosed
US-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-11-25 US disclosed
WO-2010121177-A2 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-10-21 WO disclosed
WO-2010046259-A1 POLYCYCLIC COMPOUNDS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2010-04-29 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 (1 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-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES MPO, HMOX1, LPO ALOX5 103/4885ESR1 1655/4885ESR2 1393/4885

“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.