SCHEMBL4085591

SCHEMBL4085591

CC(=O)c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
HPGD P15428 2/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 3/20 0.55
NPC1 O15118 3/20 0.55
TP53 P04637 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.53
CYP19A1 P11511 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
MMP13 P45452 1/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
NAAA Q02083 1/20 0.48
CHEK2 O96017 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL4318678 0.85 SRD5A2 (0.61) RAB9AHPGDKMT2ANPC1TP53
SCHEMBL29524445 0.85 SRD5A2 (0.61) RAB9AHPGDKMT2ANPC1TP53
SCHEMBL3530054 0.84 KMT2A (0.64) RAB9AHPGDMAPTKMT2ANPC1
SCHEMBL16114401 0.82 LMNA (0.75) RAB9AHPGDNPC1TP53RECQL
SCHEMBL8260883 0.81 HPGD (0.70) RAB9AHPGDMAPTKMT2ANPC1
SCHEMBL167640 0.80 RAB9A (0.83) RAB9AHPGDMAPTKMT2ANPC1
SCHEMBL203697 0.80 HPGD (1.00) RAB9AHPGDMAPTKMT2ALMNA
SCHEMBL3301210 0.80 HPGD (1.00) RAB9AHPGDMAPTKMT2ALMNA
SCHEMBL3533538 0.80 RAB9A (0.62) RAB9AHPGDKMT2ANPC1TP53
SCHEMBL14527446 0.79 GAA (0.64) RAB9AHPGDMAPTKMT2ANPC1

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 6 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
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 RAB9A 3860/4885HPGD 61/4885MAPT 929/4885

“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.