SCHEMBL5991663

SCHEMBL5991663

CCCCCCCOc1ccc(CN)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.61
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
LTA4H P09960 2/20 0.55
TP53 P04637 3/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGD P15428 1/20 0.54
PLA2G4B P0C869 2/20 0.53

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
SCHEMBL16584080 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL15923173 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL28006584 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL29038706 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL9307111 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL28651767 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL6717278 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL15923618 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL2401164 0.98 KEAP1 (0.59) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL15923077 0.96 NR5A1 (0.58) NR5A1KEAP1NFE2L2NPC1RAB9A

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
US-7008636-B2 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH (US) 2006-03-07 US disclosed
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2004-10-28 US disclosed
US-6765021-B2 ANTIDIABETIC AGENTS WYETH 2004-07-20 US disclosed
US-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-05-01 US disclosed
US-6451827-B2 MODULATING BLOOD GLUCOSE CONCENTRATION WYETH 2002-09-17 US disclosed
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2001-08-30 US disclosed
US-6214877-B1 ANTIDIABETIC AGENTS; MODULATOR OF GLUCOSE CONCENTRATION WYETH 2001-04-10 US disclosed
EP-1077929-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999061410-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 WO disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP 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-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 NR5A1 94/4885KEAP1 1271/4885NFE2L2 563/4885
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 NR5A1 96/4885KEAP1 1265/4885NFE2L2 564/4885
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 NR5A1 94/4885KEAP1 1271/4885NFE2L2 563/4885

“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.