SCHEMBL7071372

SCHEMBL7071372

CCOC(=O)CC1=Cc2cc(OC)ccc2CCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NLRP3 Q96P20 1/20 0.39
BRD4 O60885 1/20 0.39
MTNR1A P48039 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8096734 0.94 PPARG (0.42) PPARGNPC1RAB9AKMT2AMAPT
SCHEMBL7075587 0.90 PPARG (0.44) PPARGKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL7305935 0.83 MTNR1A (0.43) NPC1POLBRAB9AMAPTALDH1A1
SCHEMBL6949352 0.79 AKR1C2 (0.47) ALDH1A1MTNR1AHPGD
SCHEMBL8092415 0.79 BRD4 (0.39) MAPTALDH1A1L3MBTL1NLRP3BRD4
SCHEMBL14761354 0.76 ALDH1A1 (0.44) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL8092437 0.76 ADRA2A (0.43) POLBKMT2AMAPTNLRP3BRD4
SCHEMBL8092602 0.74 TRPM2 (0.40) POLBMAPTALDH1A1L3MBTL1BRD4
SCHEMBL14179574 0.73 CYP11B2 (0.45) NPC1POLBRAB9AKMT2A
SCHEMBL7218351 0.73 CA12 (0.52) NPC1POLBRAB9AKMT2AMAPT

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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US disclosed
EP-1198231-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE(ALPHA)V(BETA)3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-24 EP disclosed
WO-2001007036-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE αvβ3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-01 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 PPARG 2249/4885NPC1 4763/4885POLB 2825/4885

“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.