SCHEMBL4577802

SCHEMBL4577802

Cc1onc2ccc(C(=O)O)cc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 17/20 0.64
IP6K3 Q96PC2 17/20 0.64
IP6K2 Q9UHH9 17/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NPC1 O15118 1/20 0.64
POLB P06746 1/20 0.64
RAB9A P51151 1/20 0.64
ALDH1A1 P00352 3/20 0.60
TP53 P04637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6260259 0.86 IP6K1 (0.52) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL25990396 0.79 IP6K1 (1.00) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL10396398 0.76 IP6K1 (1.00) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL25352847 0.75 IP6K1 (1.00) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL31265140 0.75 IP6K1 (1.00) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL25989723 0.73 IP6K1 (1.00) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL5917986 0.72 MAPK14 (0.50) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL25991315 0.72 IP6K1 (0.74) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL25990975 0.71 IP6K1 (1.00) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL25992046 0.71 IP6K1 (1.00) IP6K1IP6K3IP6K2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 WO disclosed
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 US disclosed
EP-1934174-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2008-06-25 EP disclosed
WO-2007044515-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2007-04-19 WO disclosed
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
EP-1572205-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
WO-2004064836-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-08-05 WO disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 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-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 IP6K1 2026/4885IP6K3 1670/4885IP6K2 2781/4885

“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.