SCHEMBL7213165

SCHEMBL7213165

CC(C)(C)NC(=O)C1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.65
ESR2 Q92731 7/20 0.60
STS P08842 4/20 0.56
HSD17B10 Q99714 4/20 0.56
HSD17B1 P14061 3/20 0.56
SHBG P04278 3/20 0.56
LMNA P02545 3/20 0.56
AKR1B10 O60218 2/20 0.56
CYP1A2 P05177 2/20 0.56
PGR P06401 2/20 0.56
SERPINA6 P08185 2/20 0.56
CYP3A4 P08684 2/20 0.56
AR P10275 2/20 0.56
MAPT P10636 2/20 0.56
AKR1B1 P15121 2/20 0.56
SLC6A4 P31645 2/20 0.56
SNCA P37840 2/20 0.56
HTR2B P41595 2/20 0.56
BLM P54132 2/20 0.56
PMP22 Q01453 2/20 0.56

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
SCHEMBL7219423 0.89 STS (0.58) ESR1STSHSD17B10HSD17B1LMNA
SCHEMBL7646038 0.86 STS (0.72) ESR1ESR2STSCYP2C9
SCHEMBL7646041 0.86 STS (0.72) ESR1ESR2STSCYP2C9
SCHEMBL5707489 0.86 ESR1 (0.73) ESR1ESR2STSHSD17B10HSD17B1
SCHEMBL7218327 0.85 ESR1 (0.71) ESR1ESR2STSHSD17B10HSD17B1
SCHEMBL5159033 0.85 ESR1 (0.71) ESR1ESR2STSHSD17B10HSD17B1
SCHEMBL7949541 0.85 ESR1 (0.77) ESR1ESR2STSHSD17B10HSD17B1
SCHEMBL5707483 0.83 ESR1 (0.69) ESR1ESR2STSHSD17B10HSD17B1
SCHEMBL7102035 0.82 ESR1 (0.67) ESR1ESR2STSHSD17B10HSD17B1
SCHEMBL23759191 0.81 STS (0.76) ESR1ESR2STSHSD17B10HSD17B1

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-6638923-B2 Has inhibitory activity against steroid sulfatase and are useful in treating or preventing hormone dependent diseases KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-28 US disclosed
US-20020058651-A1 Estra-1,3,5(10), 16-tetraene derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2002-05-16 US disclosed
US-6262043-B1 SHOW INHIBITORY ACTIVITY AGAINST STEROID SULFATASE AND ARE USEFUL IN TREATING OR PREVENTING HORMONE DEPENDENT DISEASES. KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-07-17 US 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-20020058651-A1 Estra-1,3,5(10), 16-tetraene derivatives HSD17B11, NR5A1, CYP19A1 ESR1 7/4885ESR2 5/4885STS 139/4885

“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.