SCHEMBL5990396

SCHEMBL5990396

Oc1c(-c2ccccc2)cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
PTPN1 P18031 4/20 0.43
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PTPN6 P29350 2/20 0.40
PTPN2 P17706 1/20 0.40
PDE4B Q07343 1/20 0.40
ESR2 Q92731 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL200188 0.83 BACE1 (0.49) BACE1PTPN1ALOX5ALDH1A1HPGD
SCHEMBL8900064 0.82 BACE1 (0.47) BACE1PTPN1ALOX5ALDH1A1HPGD
SCHEMBL7916383 0.80 BACE1 (0.56) BACE1ALOX5ALDH1A1HPGDBCL2L1
SCHEMBL23861606 0.80 ESR2 (0.53) BACE1PTPN1ALOX5ALDH1A1HPGD
SCHEMBL296464 0.79 BACE1 (0.49) BACE1PTPN1ALOX5ALDH1A1HPGD
SCHEMBL9469340 0.77 PTPN1 (0.63) BACE1PTPN1ALOX5ALDH1A1HPGD
SCHEMBL3665838 0.76 BACE1 (0.45) BACE1PTPN1ALOX5ALDH1A1HPGD
SCHEMBL5571051 0.76 BACE1 (0.46) BACE1PTPN1ALOX5ALDH1A1HPGD
SCHEMBL23861355 0.76 ESR1 (0.39) BACE1ALDH1A1HPGDHSD17B10HDAC4
SCHEMBL1535921 0.75 BACE1 (0.68) BACE1PTPN1ALOX5ALDH1A1HPGD

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 9 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

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 BACE1 2386/4885PTPN1 1623/4885ALOX5 3734/4885
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 BACE1 2382/4885PTPN1 1619/4885ALOX5 3734/4885
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 BACE1 2386/4885PTPN1 1623/4885ALOX5 3734/4885

“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.