SCHEMBL21695331

SCHEMBL21695331

COC(=O)Nc1ccc(OC(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 7/20 0.57
HPGD P15428 3/20 0.57
MAPT P10636 4/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 3/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 2/20 0.50
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
APOBEC3A P31941 1/20 0.50

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
SCHEMBL2095026 0.84 GLA (0.69) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL5952262 0.84 MEN1 (0.61) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL4332370 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL4118526 0.83 MAPT (0.66) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL4119179 0.83 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL22648479 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL3714311 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL23624082 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL18119753 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL9609808 0.80 SMN1; SMN2 (0.82) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-10556889-B1 Salvinorin derivatives Blue Sky Pharmaceuticals, LLC (US) 2020-02-11 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 (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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 ALDH1A1 606/4885SMN1; SMN2 3779/4885HPGD 1286/4885
US-10556889-B1 Salvinorin derivatives OPRD1, OPRK1, OPRL1 ALDH1A1 866/4885SMN1; SMN2 1186/4885HPGD 2448/4885

“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.