SCHEMBL235381

SCHEMBL235381

Cc1cccc(C)c1COc1cccc(C(=O)CCl)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
MAOA P21397 3/20 0.47
SLC22A12 Q96S37 1/20 0.46
PTPN1 P18031 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR4A2 P43354 4/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL237424 0.86 MAOB (0.48) MAOBMAOASLC22A12PTPN1LMNA
SCHEMBL1633991 0.84 NR4A2 (0.65) NR4A2NPC1RAB9AMRGPRX4
SCHEMBL31215373 0.84 NR4A2 (0.65) NR4A2NPC1RAB9AMRGPRX4
SCHEMBL237290 0.84 MAOB (0.67) MAOBMAOASLC22A12SMN1; SMN2
SCHEMBL954314 0.83 PTPN1 (0.50) MAOBSLC22A12PTPN1LMNAMAPT
SCHEMBL237393 0.83 HPGD (0.50) MAOBSLC22A12PTPN1HPGDNR4A2
SCHEMBL2184376 0.82 MAOB (0.45) MAOBMAOASLC22A12PTPN1LMNA
SCHEMBL234126 0.82 MAOB (0.47) MAOBSLC22A12PTPN1LMNAMAPT
SCHEMBL2088037 0.82 HPGD (0.49) MAOBSLC22A12PTPN1HPGDNR4A2
Potassium SCHEMBL2089657 0.82 HPGD (0.49) MAOBSLC22A12PTPN1HPGDNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703991-B2 Synthesis of (phenylalkyloxy)phenyl-oxobutanoic acids WELLSTAT THERAPEUTICS CORPORATION (US) 2014-04-22 US disclosed
US-20120004442-A1 SYNTHESIS OF (PHENYLALKYLOXY)PHENYL-OXOBUTANOIC ACIDS WELLSTAT THERAPEUTICS CORPORATION (US) 2012-01-05 US disclosed
EP-2365746-A1 SYNTHESIS OF (PHENYLALKYLOXY)PHENYL-OXOBUTANOIC ACIDS Wellstat Therapeutics Corporation (US) 2011-09-21 EP disclosed
WO-2010053910-A1 SYNTHESIS OF (PHENYLALKYLOXY)PHENYL-OXOBUTANOIC ACIDS WELLSTAT THERAPEUTICS CORPORATION (US) 2010-05-14 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-20120004442-A1 SYNTHESIS OF (PHENYLALKYLOXY)PHENYL-OXOBUTANOIC ACIDS PGD, HPD, MLYCD MAOB 684/4885MAOA 1278/4885SLC22A12 2214/4885

“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.