SCHEMBL4091149

SCHEMBL4091149

CCOC(=O)Cn1ccc(-c2ccc(-c3ccc(OC)c(CC)c3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
USP2 O75604 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
HSD17B1 P14061 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL4096858 0.91 HDAC1 (0.40) KDM4EMEN1KMT2AITGB1ITGA4
SCHEMBL4085703 0.87 HSD17B1 (0.39) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL13774779 0.79 HSD17B1 (0.39) ALDH1A1KDM4EHSD17B10PDE4APDE4B
SCHEMBL4096010 0.78 CYP19A1 (0.48) SMN1; SMN2KDM4EHTTPDE4APDE4B
SCHEMBL5282599 0.78 HTT (0.64) ALDH1A1SMN1; SMN2KDM4EHSD17B10TSHR
SCHEMBL4090683 0.75 PKM (0.51) ALDH1A1KDM4EHSD17B10TSHRHTT
SCHEMBL12325012 0.70 HSD17B1 (0.59) ALDH1A1KDM4EHSD17B10TSHRHTT
SCHEMBL12094219 0.70 CYP2C19 (0.47) ALDH1A1SMN1; SMN2KDM4EHSD17B10TSHR
SCHEMBL15662140 0.70 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EHSD17B10TSHR
SCHEMBL2822660 0.69 GAA (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10TSHR

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 ALDH1A1 56/4885SMN1; SMN2 1091/4885KDM4E 2132/4885

“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.