SCHEMBL7172140

SCHEMBL7172140

COC1=CCC2=CC(=O)c3ccccc3OC2=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.36
CDC25A P30304 2/20 0.36
CDC25B P30305 2/20 0.36
IDO1 P14902 1/20 0.36
ACHE P22303 1/20 0.34
PTPN1 P18031 1/20 0.33
STK17B O94768 4/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 3/20 0.32

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
SCHEMBL705239 0.64 ACHE (0.39) CDC25ACDC25BACHESTK17BHDAC3
SCHEMBL2371486 0.60
SCHEMBL6222320 0.59 GAPDH (0.32)
SCHEMBL25267221 0.57 DRD2 (0.34) LMNAMAOB
SCHEMBL5196941 0.57 TYMS (0.40) CYP19A1CDC25ACDC25BIDO1ACHE
SCHEMBL5196943 0.57 TYMS (0.40) CYP19A1CDC25ACDC25BIDO1ACHE
SCHEMBL10551618 0.57 MAOB (0.47) CYP19A1ACHEMAPTRAB9ATDP1
SCHEMBL5111536 0.56 MAOA (0.46) GAACYP1A2MAOB
SCHEMBL11106693 0.56 TDP1 (0.56) CDC25ACDC25BIDO1PTPN1MAPT
SCHEMBL167093 0.56

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-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
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
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL CYP19A1 1682/4885CDC25A 4063/4885CDC25B 4381/4885

“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.