SCHEMBL13486352

SCHEMBL13486352

CCCCOc1cc(CC)ccc1Oc1ccc(N2CC(CO)OC2=O)cc1F

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.48
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
GRM2 Q14416 7/20 0.43
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL17676502 0.91 GRM2 (0.43) MAOBGRM2
SCHEMBL3209052 0.88 CALML3 (0.50) CALML3MAOAMAOBGRM2CYP2C19
SCHEMBL3197109 0.88 CALML3 (0.50) CALML3MAOAMAOBGRM2CYP2C19
SCHEMBL14387034 0.87 GRM2 (0.44) MAOBGRM2
SCHEMBL13486332 0.87 GRM2 (0.39) MAOBGRM2
SCHEMBL3200347 0.86 CALML3 (0.52) CALML3MAOAMAOB
SCHEMBL13486335 0.81 IL6 (0.38) CYP3A4
SCHEMBL3205152 0.79 GRM2 (0.48) CALML3GRM2
SCHEMBL3198649 0.78 CALML3 (0.46) CALML3
SCHEMBL3198798 0.76 GRM2 (0.49) CALML3MAOBGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA (FR) 2016-06-30 US disclosed
US-9309179-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA (FR) 2016-04-12 US disclosed
US-8722746-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA S.A.S. (FR) 2014-05-13 US disclosed
US-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof FAB PHARMA (FR) 2010-02-18 US disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 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 (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-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof HPD, HPGDS, EPX CALML3 3469/4885MAOA 1013/4885MAOB 784/4885
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX CALML3 3469/4885MAOA 1013/4885MAOB 784/4885

“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.