SCHEMBL4085481

SCHEMBL4085481

CCc1cc(-c2ccc(C(=O)CCC(=O)NCCc3ccccn3)cc2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B1 P14061 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 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
SCHEMBL4103497 0.90 KMT2A (0.53) MAPTKDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL4086212 0.87 HSD17B1 (0.60) MAPTKMT2ASMN1; SMN2HSD17B1RAB9A
SCHEMBL4099539 0.82 HSD17B1 (0.64) KMT2AHSD17B1MEN1ALDH1A1NPSR1
SCHEMBL4093397 0.81 TP53 (0.48) MAPTKMT2ASMN1; SMN2HPGDHSD17B1
SCHEMBL4100562 0.79 KMT2A (0.55) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL4085811 0.77 HSD17B1 (0.67) MAPTKDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL4094282 0.76 HSD17B1 (0.77) MAPTKMT2AHPGDHSD17B1MEN1
SCHEMBL4103544 0.74 L3MBTL1 (0.54) MAPTKMT2ASMN1; SMN2HPGDHSD17B1
SCHEMBL4091376 0.74 SMN1; SMN2 (0.53) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL4085974 0.73 HSD17B1 (0.52) KMT2AHSD17B1MEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 929/4885KDM4E 2132/4885KMT2A 2145/4885

“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.