SCHEMBL7537212

SCHEMBL7537212

COc1ccc(Cc2c(OC(C)C)c(=O)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ SLC6A4 P31645 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ VKORC1 Q9BQB6 1/20 0.40
▸ CMA1 P23946 1/20 0.40

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
SCHEMBL10966990 0.77 LTA4H (0.57) LTA4HALDH1A1LMNACYP2D6ATM
SCHEMBL7536375 0.72 PTGS2 (0.44) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL7012005 0.70 PLK1 (0.47) POLBLTA4HALDH1A1LMNACYP2D6
SCHEMBL25986524 0.69 LTA4H (0.81) LTA4HALDH1A1LMNACYP2D6ATM
SCHEMBL1425001 0.69 LTA4H (0.81) LTA4HALDH1A1LMNACYP2D6ATM
SCHEMBL27884 0.69 LTA4H (0.81) LTA4HALDH1A1LMNACYP2D6ATM
SCHEMBL17156328 0.68 SLC5A2 (0.52) KDM4AMAPTKDM4CPOLBALDH1A1
SCHEMBL14449300 0.67 POLB (0.59) KDM4AMAPTKDM4CPOLBLTA4H
SCHEMBL10843932 0.67 LTA4H (0.58) POLBLTA4HALDH1A1LMNACYP2D6
SCHEMBL178454 0.67 CA1 (0.61) MAPTPOLBALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177613-A1 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers AMERICAN HOME PRODUCTS CORPORATION (US) 2002-11-28 — — US disclosed
US-6465523-B1 TREATMENT OF SMOOTH MUSCLE CONTRACTION DISORDERS SUCH AS URINARY INCONTINENCE, ASTHMA, PREMATURE LABOR, IRRITABLE BOWEL SYNDROME, CONGESTIVE HEART FAILURE, ANGINA, CEREBRAL VASCULAR DISEASE AMERICAN HOME PRODUCTS 2002-10-15 — — US disclosed
US-6462059-B1 TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION; URINARY INCONTINENCE, ASTHMA, PREMATURE LABOR, IRRITABLE BOWEL SYNDROME, CONGESTIVE HEART FAILURE, ANGINA, AND CEREBRAL VASCULAR DISEASE AMERICAN HOME PRODUCTS 2002-10-08 — — US disclosed
US-6376555-B1 MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 — — US disclosed
EP-1135365-A1 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-26 — — EP disclosed
WO-2000034230-A1 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — 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 (1 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-20020177613-A1 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers KCNN3, KCNJ2, KCNE1 KDM4A 230/4885MAPT 4592/4885KDM4C 283/4885

“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.

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