SCHEMBL7214701

SCHEMBL7214701

c1ccc(COc2ccc3ccoc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.69
MAOB P27338 9/20 0.64
MAOA P21397 4/20 0.64
NPC1 O15118 2/20 0.64
MEN1 O00255 1/20 0.64
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA3 P07451 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
CA7 P43166 1/20 0.64
MTNR1A P48039 1/20 0.64
KMT2A Q03164 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
ALOX5 P09917 1/20 0.62
SLC16A3 O15427 1/20 0.52
ACHE P22303 2/20 0.52
BCHE P06276 1/20 0.52

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
SCHEMBL29828846 1.00 MRGPRX4 (0.69) MRGPRX4MAOBMAOANPC1MEN1
SCHEMBL5988383 0.87 MRGPRX4 (0.69) MRGPRX4MAOBMAOANPC1MEN1
SCHEMBL4823774 0.84 MRGPRX4 (0.65) MRGPRX4MAOBMAOANPC1MEN1
SCHEMBL22480680 0.82 MRGPRX4 (1.00) MRGPRX4FFAR1PPARDRAB9A
SCHEMBL29966607 0.79 MAOB (0.80) MAOBMAOACA12CA1CA2
SCHEMBL29092205 0.79 MAOB (0.80) MAOBMAOACA12CA1CA2
7-Benzyloxycoumarin SCHEMBL3901170 0.78 MAOB (1.00) MAOBMAOANPC1MEN1CA12
SCHEMBL7315339 0.78 MAOB (0.69) MAOBMAOANPC1MEN1CA12
SCHEMBL28151748 0.78 MAOB (0.65) MAOBMAOANPC1MEN1CA12
7-Benzyloxycoumarin SCHEMBL29365449 0.78 MAOB (1.00) MAOBMAOANPC1MEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 WO disclosed
US-6610687-B1 Phosphodiesterase IV inhibitors; treating or preventing inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-08-26 US disclosed
EP-1187821-A1 BENZOFURANYLSULFONATES Bayer Aktiengesellschaft (DE) 2002-03-20 EP disclosed
WO-2000069842-A1 BENZOFURANYLSULFONATES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-23 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 MRGPRX4 201/4885MAOB 3987/4885MAOA 4169/4885

“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.