SCHEMBL21397

SCHEMBL21397

CCc1cc(OBOc2ccc(OC)c(CC)c2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
IDO1 P14902 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
ADRA1A P35348 1/20 0.47
HTR2A P28223 1/20 0.45
AOC3 Q16853 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL805159 0.84 HSD17B10 (0.65) HSD17B10IDO1TAAR1ADRA1AHTR2A
SCHEMBL7996532 0.80 HTR2A (0.34) HSD17B10HTR2A
SCHEMBL23115 0.78 CA2 (0.67) CA12CA1CA2CA7CA9
SCHEMBL7414693 0.76 HSD17B10 (0.47) HSD17B10IDO1TAAR1ADRA1AHTR2A
SCHEMBL14579650 0.76 HSD17B10 (0.47) HSD17B10IDO1TAAR1ADRA1AHTR2A
SCHEMBL17450485 0.76 HSD17B10 (0.47) HSD17B10IDO1TAAR1ADRA1AHTR2A
SCHEMBL16622152 0.76 HSD17B10 (0.56) HSD17B10IDO1TAAR1ADRA1AHTR2A
SCHEMBL11950523 0.76 CA2 (0.48) TAAR1CA2
SCHEMBL22220774 0.75 HCRTR1 (0.49) HSD17B10IDO1TAAR1ADRA1AHTR2A
SCHEMBL20286678 0.75 CA2 (0.63) TAAR1CA2

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
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO 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 HSD17B10 22/4885IDO1 4037/4885TAAR1 3509/4885

“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.