SCHEMBL7082645

SCHEMBL7082645

C=C1CC[C@@]2(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.62
ESR1 P03372 10/20 0.56
ESR2 Q92731 9/20 0.56
HSD17B10 Q99714 4/20 0.55
LMNA P02545 4/20 0.55
STS P08842 4/20 0.55
PGR P06401 4/20 0.55
AR P10275 4/20 0.55
SLC6A4 P31645 4/20 0.55
SLC6A3 Q01959 4/20 0.55
SERPINA6 P08185 3/20 0.55
SNCA P37840 3/20 0.55
HIF1A Q16665 3/20 0.55
CYP3A4 P08684 3/20 0.55
HTR2B P41595 3/20 0.55
NR3C1 P04150 3/20 0.55
AKR1B10 O60218 2/20 0.55
CYP1A2 P05177 2/20 0.55
MAPT P10636 2/20 0.55
AKR1B1 P15121 2/20 0.55

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
SCHEMBL6255112 0.84 SHBG (0.59) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL6260812 0.84 SHBG (0.59) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL11498773 0.82 SHBG (0.46) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL6633748 0.81 STS (0.44) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL6633753 0.81 STS (0.44) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL7082868 0.80 STS (0.68) ESR1ESR2STS
SCHEMBL7082866 0.80 STS (0.68) ESR1ESR2STS
SCHEMBL5675177 0.80 ESR1 (0.64) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL8778682 0.80 ESR1 (0.64) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL7147482 0.80 ESR1 (0.64) SHBGESR1ESR2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100544-A1 Inhibiting tubulin polymerization; treating prostate and breast cancer SCHERING AG (DE) 2003-05-29 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-20030100544-A1 Inhibiting tubulin polymerization; treating prostate and breast cancer TUBA1C, TUBB1, NR5A1 SHBG 60/4885ESR1 328/4885ESR2 95/4885

“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.