SCHEMBL20010705

SCHEMBL20010705

Cc1cc(O[C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@H]32)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.58
ESR2 Q92731 8/20 0.58
HSD17B10 Q99714 4/20 0.55
LMNA P02545 3/20 0.55
TSHR P16473 2/20 0.55
STS P08842 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC22A1 O15245 1/20 0.55
AKR1B10 O60218 1/20 0.55
SLC22A3 O75751 1/20 0.55
ABCB11 O95342 1/20 0.55
ESRRB O95718 1/20 0.55
ALDH1A1 P00352 1/20 0.55
NR3C1 P04150 1/20 0.55
SHBG P04278 1/20 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
SCHEMBL20010592 0.91 ESR1 (0.47) ESR1ESR2HSD17B10LMNATSHR
SCHEMBL19644037 0.91 ESR1 (0.60) ESR1ESR2HSD17B10LMNATSHR
SCHEMBL19644038 0.91 ESR1 (0.60) ESR1ESR2HSD17B10LMNATSHR
SCHEMBL19990205 0.90 ESR1 (0.56) ESR1ESR2HSD17B10LMNATSHR
SCHEMBL24399389 0.88 ESR1 (0.61) ESR1ESR2HSD17B10LMNATSHR
SCHEMBL20010697 0.88 ESR1 (0.61) ESR1ESR2HSD17B10LMNATSHR
SCHEMBL20015657 0.88 ESR1 (0.61) ESR1ESR2HSD17B10LMNATSHR
SCHEMBL17793324 0.88 ESR1 (0.54) ESR1ESR2HSD17B10LMNATSHR
SCHEMBL20010704 0.87 ESR1 (0.52) ESR1ESR2HSD17B10LMNATSHR
SCHEMBL6854850 0.83 ESR1 (0.64) ESR1ESR2HSD17B10LMNATSHR

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-20180086787-A1 ESTROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-03-29 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-20180086787-A1 ESTROGEN RECEPTOR MODULATORS ESR2, ESRRA, ESRRB ESR1 5/4885ESR2 1/4885HSD17B10 578/4885

“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.