SCHEMBL14598772

SCHEMBL14598772

C/C=C1/C(O)CC2C3C[C@H](C)C4=CC(C)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ CYP19A1 P11511 16/20 0.42
▸ SHBG P04278 1/20 0.41
▸ SERPINA6 P08185 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL13327484 0.72 CYP19A1 (0.60) ESR1CYP19A1SHBGMEN1LMNA
SCHEMBL7145526 0.72 CYP19A1 (0.60) ESR1CYP19A1SHBGMEN1LMNA
SCHEMBL13327487 0.72 CYP19A1 (0.60) ESR1CYP19A1SHBGMEN1LMNA
SCHEMBL3338391 0.72 CYP19A1 (0.60) ESR1CYP19A1SHBGMEN1LMNA
SCHEMBL13642659 0.70 G6PD (0.56) ESR1CYP19A1SHBGSERPINA6MEN1
SCHEMBL13642708 0.70 G6PD (0.56) ESR1CYP19A1SHBGSERPINA6MEN1
SCHEMBL14193750 0.68 ESR1 (0.42) ESR1
SCHEMBL1126907 0.68 G6PD (0.70) ESR1SHBGSERPINA6MEN1LMNA
SCHEMBL3670416 0.68 G6PD (0.70) ESR1SHBGSERPINA6MEN1LMNA
SCHEMBL14193758 0.68 G6PD (0.70) ESR1SHBGSERPINA6MEN1LMNA

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-20070055072-A1 Process for preparing guggulsterones and guggulsterol SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-03-08 — — 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-20070055072-A1 Process for preparing guggulsterones and guggulsterol CYP17A1, CYP46A1, HSD17B7 ESR1 366/4885CYP19A1 30/4885SHBG 16/4885

“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.

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