SCHEMBL5995152

SCHEMBL5995152

COc1cccc(OC)c1C(=O)C1CC=CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 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
SCHEMBL5996946 0.90 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL6823880 0.85 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL5996935 0.80 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL9431999 0.76 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11755425 0.72 CA1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL13890816 0.70 PPARA (0.53) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL149926 0.70 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL444923 0.70 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL598460 0.70 CA9 (0.68) CA12CA1CA2CA7CA9
SCHEMBL630710 0.69 CA12 (0.61) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122534-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-10-17 US disclosed
US-6706702-B2 FOR THERAPY OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS PFIZER INC. 2004-03-16 US disclosed
EP-1076650-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2004-02-04 EP disclosed
US-20030130261-A1 Aryl fused azapolycyclic compounds PFIZER INC 2003-07-10 US disclosed
US-20030008890-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-01-09 US disclosed
US-6462035-B1 BINDING TO NEURONAL NICOTINIC ACETYLCHOLINE SPECIFIC RECEPTOR; MODULATING CHOLINERGIC FUNCTION; REDUCING NICOTINE ADDICTION; INFLAMMATORY AND IRRITABLE BOWEL SYNDROME, SPASTIC DYSTONIA, CHRONIC AND ACUTE PAIN, EATING DISORDERS PFIZER INC. 2002-10-08 US disclosed
EP-1076650-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2001-02-21 EP disclosed
WO-1999055680-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-11-04 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-20030130261-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CA12 4122/4885CA1 2600/4885CA2 4178/4885
US-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 CA12 3860/4885CA1 2123/4885CA2 3951/4885

“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.