SCHEMBL6740604

SCHEMBL6740604

Cc1cc(C=O)cc(I)c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.45
SRC P12931 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 1/20 0.44
TTR P02766 2/20 0.42
EEF2K O00418 1/20 0.41
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
ALOX5 P09917 3/20 0.39
NAT1 P18440 1/20 0.39
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL1005116 0.91 ERN1 (0.52) ERN1TTRPTGS2NAT1APP
SCHEMBL143965 0.86 CYP2C9 (0.56) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL7962088 0.80 XDH (0.50) ERN1TTRPTGS2NAT1APP
SCHEMBL29459683 0.80 EGFR (0.53) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL299751 0.80 EGFR (0.53) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL5646596 0.78 ERN1 (0.56) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL22991663 0.78 TTR (0.42) SRCCYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL26856769 0.77 KDM4E (0.43) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL31554021 0.77 KDM4E (0.43) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL24981909 0.77 ERN1 (0.44) ERN1TTRPTGS2ALOX5NAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107759588-B Phenyl- (pyrazolo [1,5-a ] pyridine-3-yl) ketone derivative 江苏新元素医药科技有限公司 2020-10-23 CN claimed
WO-2024135708-A1 METHOD FOR PRODUCING COMPOUND, POLYMER, COMPOSITION, AND PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2024-06-27 WO disclosed
US-20230286890-A1 METHOD FOR SYNTHESIZING 3,5-DIIODO-4-HYDROXY BENZYL ALCOHOL DIVERCHIM CDMO (FR) 2023-09-14 US disclosed
US-20230286890-A1 METHOD FOR SYNTHESIZING 3,5-DIIODO-4-HYDROXY BENZYL ALCOHOL DIVERCHIM CDMO (FR) 2023-09-14 US disclosed
CN-107759588-B Phenyl- (pyrazolo [1,5-a ] pyridine-3-yl) ketone derivative 江苏新元素医药科技有限公司 2020-10-23 CN disclosed
CN-106065010-B For treating or preventing the compound of hyperuricemia or gout 镇江新元素医药科技有限公司 2019-01-01 CN disclosed
US-6683107-B2 THERAPY OF METABOLISM DISORDERS WYETH 2004-01-27 US disclosed
US-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-04-17 US disclosed
US-6451845-B1 ANTIDIABETIC AGENTS WYETH 2002-09-17 US disclosed
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US disclosed
US-6248764-B1 ANTIDIABETIC AGENT; HYPOGLYCEMIC AGENT AMERICAN HOME PRODUCTS CORPORATION 2001-06-19 US disclosed
US-6103708-A USEFUL IN TREATING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-15 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-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, FFAR3 ERN1 2738/4885SRC 2498/4885CYP2C9 1450/4885
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, FFAR3 ERN1 2603/4885SRC 2920/4885CYP2C9 1418/4885
US-20230286890-A1 METHOD FOR SYNTHESIZING 3,5-DIIODO-4-HYDROXY BENZYL ALCOHOL ADH1C, ADH5, ADH1A ERN1 2879/4885SRC 3224/4885CYP2C9 77/4885

“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.