SCHEMBL3977600

SCHEMBL3977600

O=C1OC=CC1Oc1ccc(Br)cc1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LDHA P00338 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL6903496 0.98 CA1 (0.32) CA1CA2CA9LDHAALDH1A1
SCHEMBL694534 0.82 SLC6A4 (0.34) CA1CA2CA9CYP2C19MAOA
SCHEMBL4503382 0.82 TDP1 (0.35) MAPTALDH1A1CYP3A4MAOAMAOB
SCHEMBL3972509 0.78 CA1 (0.38) CA1CA2CA9ALDH1A1MAOA
SCHEMBL4327315 0.78 DDB1 (0.41) CA1CA2CA9MAPTALDH1A1
SCHEMBL2313060 0.66
SCHEMBL877644 0.63 KDM4E (0.41) MAPTALDH1A1MAOBMEN1MAPK1
SCHEMBL1471141 0.63
SCHEMBL6903494 0.62 KDM4E (0.40) MAPTALDH1A1MAOBMEN1MAPK1
SCHEMBL16468397 0.61 POLB (0.46) LDHAMAPTALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-20050020651-A1 Butyric acid derivatives MERCK PATENT GMBH (DE) 2005-01-27 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 (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-20050020651-A1 Butyric acid derivatives GPR119, DBI, GABRB1 CA1 1819/4885CA2 1406/4885CA9 1316/4885

“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.