SCHEMBL1541757

SCHEMBL1541757

O=C(O)c1cccc(CCI)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.61
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
ANPEP P15144 1/20 0.50
ENPEP Q07075 1/20 0.50
AKR1C3 P42330 1/20 0.49
MEP1B Q16820 2/20 0.49
KMT2A Q03164 1/20 0.49
NR4A2 P43354 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA6 P23280 1/20 0.48

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
SCHEMBL22924729 0.89 FOLH1 (0.58) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL1817886 0.88 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL30395109 0.88 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL371526 0.88 FOLH1 (0.70) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL27705284 0.87 FOLH1 (0.56) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL27705268 0.85 FOLH1 (0.58) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL1980273 0.85 FOLH1 (0.61) FOLH1CYP2D6CYP2C9HIF1AAKR1C3
SCHEMBL1296456 0.85 FOLH1 (0.61) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL1421808 0.84 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL16559877 0.84 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP

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
CN-112939943-B Benzimidazole compound, preparation method thereof and application of benzimidazole compound in preparation of iron death inhibitor 中山大学 2022-09-16 CN disclosed
CN-112939943-A Benzimidazole compound, preparation method thereof and application of benzimidazole compound in preparation of iron death inhibitor 中山大学 2021-06-11 CN disclosed
CN-102459227-A 4-azetidinyl-1-phenyl-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2012-05-16 CN disclosed
US-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
EP-2308880-A1 TETRACYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-04-13 EP disclosed
CN-100491323-C Biaryloxymethylarenecarboxylic acids compound HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US disclosed
EP-1912977-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 EP disclosed
CN-101068803-A Biaryloxymethylarene carboxylic acid compounds HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 WO disclosed
CN-1812956-A Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN LA ROCHE (CH) 2006-08-02 CN 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-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN FOLH1 4412/4885ALDH1A1 3255/4885HPGD 2776/4885
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 FOLH1 1903/4885ALDH1A1 3109/4885HPGD 347/4885

“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.