SCHEMBL6804024

SCHEMBL6804024

CCOC(=O)CC(C)(C)Cc1cc(F)c(OCCCN)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.38
THRA P10827 6/20 0.38
ICMT O60725 1/20 0.36
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6809710 0.81 ITGB3 (0.38) MEN1KMT2A
SCHEMBL6806028 0.80 MAPT (0.38) THRBKDM4EALDH1A1
SCHEMBL6803905 0.71 SMN1; SMN2 (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6800487 0.70 HPGD (0.38) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6804104 0.68 ITGB3 (0.44)
SCHEMBL13062424 0.66 THRA (0.48) THRBTHRAALDH1A1
SCHEMBL19510751 0.66 CYP1A2 (0.45) THRBTHRACYP1A2MEN1KMT2A
SCHEMBL13243149 0.65 THRA (0.38) THRBTHRACYP1A2SMN1; SMN2
SCHEMBL6809716 0.64 ESR1 (0.47) MEN1KMT2A
SCHEMBL6806054 0.63 CA12 (0.39) CYP1A2MEN1KMT2AALDH1A1SMN1; SMN2

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 THRB 688/4885THRA 1179/4885ICMT 3452/4885

“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.