SCHEMBL11219740

SCHEMBL11219740

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@@H](O)C[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
HSD17B10 Q99714 1/20 0.66
ESR1 P03372 6/20 0.63
HSD17B1 P14061 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 2/20 0.61
RECQL P46063 1/20 0.61
PGR P06401 2/20 0.59
SLC6A3 Q01959 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
HIF1A Q16665 1/20 0.59
NR3C1 P04150 1/20 0.59
CNR1 P21554 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
STS P08842 3/20 0.52
SHBG P04278 1/20 0.51
ABCC1 P33527 1/20 0.51

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
SCHEMBL5677654 1.00 LMNA (0.66) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL5677557 1.00 LMNA (0.66) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL5682212 1.00 LMNA (0.66) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL5682234 1.00 LMNA (0.66) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL10079795 0.88 LMNA (0.62) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL23645815 0.87 LMNA (0.61) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL2712497 0.87 LMNA (0.63) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL15301230 0.87 LMNA (0.61) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL15301654 0.87 LMNA (0.61) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL2709898 0.87 LMNA (0.61) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2

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-2625190-B1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION UNIV JUSTUS LIEBIG GIESSEN (DE) 2021-07-14 EP disclosed
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 US disclosed
EP-0033561-B1 NOVEL 17-AMINO-16-HYDROXY STEROIDS OF THE ANDROSTANE AND OESTRANE SERIES AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS AKZO N.V. (NL) 1983-05-11 EP disclosed
EP-0033561-A1 Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof, processes for their preparation and pharmaceutical compositions AKZO N.V. (NL) 1981-08-12 EP 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-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION HSD17B7, CYP21A2, CYP17A1 LMNA 681/4885HSD17B10 213/4885ESR1 2570/4885

“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.