SCHEMBL6501711

SCHEMBL6501711

Cc1ccc(C)n1-c1cccc(CCCO)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
PDE10A Q9Y233 8/20 0.38
TRPV3 Q8NET8 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TGFBR1 P36897 1/20 0.33
PLA2G7 Q13093 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 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
SCHEMBL2968640 0.85 KCNH2 (0.53) KCNH2PDE10ATLR8TGFBR1NOS2
SCHEMBL2974037 0.81 KCNH2 (0.43) KCNH2PDE10ANOS1NOS2
SCHEMBL7399754 0.80 KCNH2 (0.37) KCNH2PDE10ATLR8
SCHEMBL7202960 0.80 IRAK4 (0.41) KCNH2PDE10ANOS1NOS2
SCHEMBL25379810 0.80 LIPG (0.40)
SCHEMBL25378990 0.79 HTR1A (0.40) KCNH2
SCHEMBL2015923 0.78 PDE10A (0.36) KCNH2PDE10A
SCHEMBL7798225 0.76 PDE10A (0.37) KCNH2PDE10ANOS1NOS2
SCHEMBL4314841 0.75 KCNH2 (0.47) KCNH2TLR8TGFBR1NOS1NOS2
SCHEMBL6500417 0.75 KCNH2 (0.49) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US 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 (3 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL KCNH2 3309/4885PDE10A 1403/4885TRPV3 1249/4885
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 KCNH2 1408/4885PDE10A 2909/4885TRPV3 4594/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 KCNH2 1952/4885PDE10A 4180/4885TRPV3 3661/4885

“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.