SCHEMBL6809133

SCHEMBL6809133

CC(C)(CC(=O)O)Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.58
ESR1 P03372 6/20 0.55
ESR2 Q92731 5/20 0.50
CA2 P00918 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TBXA2R P21731 2/20 0.40

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
SCHEMBL473504 0.84 CYP2C19 (0.53) ALDH1A1CYP3A4CYP2C19HIF1AKDM4E
SCHEMBL6631546 0.83 BLM (0.56) BLMESR1ESR2CA2CAMK2A
SCHEMBL17590423 0.83 TBXA2R (0.54) CYP3A4CYP2C19TSHRTBXA2R
SCHEMBL450334 0.83 TBXA2R (0.53) BLMALDH1A1CYP2C19HIF1AMEN1
SCHEMBL6803878 0.80 ESR1 (0.50) BLMESR1ESR2CA2ALDH1A1
SCHEMBL6809716 0.78 ESR1 (0.47) BLMESR1ESR2CA2MEN1
SCHEMBL6800310 0.77 FFAR1 (0.57) CYP2C19HIF1AMEN1KMT2AKDM4E
SCHEMBL11596247 0.76 BLM (0.67) BLMESR1ESR2CA2CAMK2A
SCHEMBL5004593 0.76 BLM (0.67) BLMESR1ESR2CA2CAMK2A
Eucomic Acid SCHEMBL23355983 0.76 BLM (0.51) BLMESR1ESR2CA2CAMK2A

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-20040043994-A1 Gem-substituted alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
EP-1313705-A1 GEM-SUBSTITUTED ALPHA V BETA 3 INTEGRIN ANTAGONISTS Pharmacia Corporation (US) 2003-05-28 EP disclosed
US-6531494-B1 Gem-substituted αvβ3 antagonists PHARMACIA CORPORATION 2003-03-11 US disclosed
WO-2002018340-A1 GEM-SUBSTITUTED α v β 3 INTEGRIN ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 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-20040043994-A1 Gem-substituted alpha v beta 3 antagonists CACNG5, ITGAV, ITGA5 BLM 3951/4885ESR1 3570/4885ESR2 1857/4885

“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.