SCHEMBL6945685

SCHEMBL6945685

O=C(O)CC1Cc2ccc(CCCCO)cc2Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.50
ITGAV P06756 5/20 0.50
ITGA2B P08514 2/20 0.50
ITGB5 P18084 2/20 0.50
ITGB1 P05556 1/20 0.50
HTR2A P28223 6/20 0.46
DRD2 P14416 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 3/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
PPARD Q03181 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL7176204 0.90 HTR2A (0.50) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7168342 0.81 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7171892 0.80 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7171128 0.80 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL11677942 0.80 MTNR1A (0.60) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6642395 0.79 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6646029 0.79 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6643325 0.79 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL5486017 0.79 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7037287 0.78 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL ITGB3 153/4885ITGAV 168/4885ITGA2B 104/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ITGB3 11/4885ITGAV 18/4885ITGA2B 13/4885

“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.