SCHEMBL13301006

SCHEMBL13301006

Cc1ccc2c(c1)C[C@@H](C)C1C2CCC2(C)C(O)CCC12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
HSD17B10 Q99714 4/20 0.50
ESR2 Q92731 4/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC22A1 O15245 1/20 0.50
AKR1B10 O60218 1/20 0.50
SLC22A3 O75751 1/20 0.50
ABCB11 O95342 1/20 0.50
ESRRB O95718 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NR3C1 P04150 1/20 0.50
SHBG P04278 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL806967 0.89 ESR1 (0.63) ESR1HSD17B10ESR2LMNATSHR
SCHEMBL2854643 0.89 ESR1 (0.63) ESR1HSD17B10ESR2LMNATSHR
SCHEMBL2854638 0.89 ESR1 (0.63) ESR1HSD17B10ESR2LMNATSHR
SCHEMBL24103217 0.89 ESR1 (0.63) ESR1HSD17B10ESR2LMNATSHR
SCHEMBL8505904 0.89 ESR1 (0.63) ESR1HSD17B10ESR2LMNATSHR
SCHEMBL24583080 0.89 ESR1 (0.63) ESR1HSD17B10ESR2LMNATSHR
SCHEMBL14569768 0.89 ESR1 (0.63) ESR1HSD17B10ESR2LMNATSHR
SCHEMBL24103220 0.89 ESR1 (0.63) ESR1HSD17B10ESR2LMNATSHR
SCHEMBL16485139 0.89 ESR1 (0.63) ESR1HSD17B10ESR2LMNATSHR
SCHEMBL12101444 0.85 LMNA (0.66) ESR1HSD17B10ESR2LMNATSHR

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-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SCHERING CORPORATION 2010-06-10 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-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, KLK3, CD44 ESR1 1982/4885HSD17B10 3190/4885ESR2 2013/4885

“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.