SCHEMBL6324815

SCHEMBL6324815

CCCCOc1ccc(C2C(CC(=O)O)C2(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.53
ITGAV P06756 2/20 0.53
ITGB5 P18084 1/20 0.53
ITGB6 P18564 1/20 0.53
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.45
PLA2G4B P0C869 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RARB P10826 3/20 0.43

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
SCHEMBL6325205 0.82 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB6LMNA
SCHEMBL6321357 0.77 ITGB3 (0.42) ITGB3ITGAVITGB5ITGB6TP53
SCHEMBL27144535 0.70 MEN1 (0.51) TP53TSHRRAB9APLA2G4BMEN1
SCHEMBL5429541 0.70 PLA2G4B (0.68) TP53TSHRPLA2G4BLMNAALDH1A1
SCHEMBL29089242 0.70 PLA2G4B (0.68) TP53TSHRPLA2G4BLMNA
Bicarbonate SCHEMBL6207665 0.70 RAB9A (0.66) TP53TSHRRAB9APLA2G4BMEN1
SCHEMBL6847318 0.70 PPARG (0.57) TP53TSHRRAB9APLA2G4BNPC1
Propionic Acid SCHEMBL27556614 0.69 LTA4H (0.69) TP53TSHRPLA2G4B
SCHEMBL8744429 0.67 PLA2G4B (0.73) TP53TSHRPLA2G4BRARB
SCHEMBL1285778 0.67 PLA2G4B (0.77) TP53TSHRPLA2G4BLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-6841449-B1 Two-step process for nickel deposition ADVANCED MICRO DEVICES, INC. (US) 2005-01-11 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
US-6689687-B1 Two-step process for nickel deposition ADVANCED MICRO DEVICES, INC. 2004-02-10 US disclosed
US-6632740-B1 Two-step process for nickel deposition ADVANCED MICRO DEVICES, INC. 2003-10-14 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 (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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 6/4885ITGB5 2/4885

“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.