SCHEMBL4096360

SCHEMBL4096360

CC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
MAPT P10636 2/20 0.68
RAB9A P51151 2/20 0.68
MAOB P27338 6/20 0.60
MAOA P21397 1/20 0.60
ESRRA P11474 1/20 0.54
SOS1 Q07889 1/20 0.51
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
GAA P10253 1/20 0.44
STS P08842 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL4091921 0.86 HPGD (0.63) HPGDMAPTRAB9AMAOBMAOA
SCHEMBL4453036 0.85 MAPT (0.61) HPGDMAPTRAB9AMAOBMAOA
SCHEMBL14994509 0.84 PARP15 (0.56) HPGDSOS1CES2CES1L3MBTL1
SCHEMBL3301210 0.82 HPGD (1.00) HPGDMAPTRAB9AMAOBESRRA
SCHEMBL203697 0.82 HPGD (1.00) HPGDMAPTRAB9AMAOBESRRA
SCHEMBL17865528 0.82 PARP10 (0.68) MAOBSOS1CES2CES1SLC1A3
SCHEMBL13168543 0.82 LMNA (0.49) HPGDMAPTRAB9AMAOBMAOA
SCHEMBL9619696 0.81 HPGD (0.79) HPGDMAPTRAB9AMAOBESRRA
SCHEMBL3138940 0.81 HPGD (0.79) HPGDMAPTRAB9AMAOBMAOA
SCHEMBL27295718 0.80 MAOB (0.51) HPGDMAPTRAB9AMAOBMAOA

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HPGD 61/4885MAPT 929/4885RAB9A 3860/4885

“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.