SCHEMBL20010587

SCHEMBL20010587

C[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3[C@@H](Oc3ccccc3)C[C@]12C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 2/20 0.49
AKR1C3 P42330 1/20 0.49
ESR1 P03372 9/20 0.49
ESR2 Q92731 6/20 0.48
STS P08842 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
RECQL P46063 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A1 O15245 1/20 0.47
AKR1B10 O60218 1/20 0.47
SLC22A3 O75751 1/20 0.47
ABCB11 O95342 1/20 0.47

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
SCHEMBL20010589 1.00 HSD17B10 (0.49) HSD17B10TSHRMAPK1AKR1C3ESR1
SCHEMBL20010697 0.90 ESR1 (0.61) HSD17B10TSHRMAPK1AKR1C3ESR1
SCHEMBL20015657 0.90 ESR1 (0.61) HSD17B10TSHRMAPK1AKR1C3ESR1
SCHEMBL24399389 0.90 ESR1 (0.61) HSD17B10TSHRMAPK1AKR1C3ESR1
SCHEMBL20010592 0.88 ESR1 (0.47) HSD17B10TSHRMAPK1AKR1C3ESR1
SCHEMBL25863861 0.83 ESR1 (0.54) HSD17B10TSHRMAPK1AKR1C3ESR1
SCHEMBL25863898 0.83 ESR1 (0.54) HSD17B10TSHRMAPK1AKR1C3ESR1
SCHEMBL20010588 0.82 ESR1 (0.42) HSD17B10TSHRMAPK1AKR1C3ESR1
SCHEMBL19644038 0.82 ESR1 (0.60) HSD17B10TSHRMAPK1AKR1C3ESR1
SCHEMBL19644037 0.82 ESR1 (0.60) HSD17B10TSHRMAPK1AKR1C3ESR1

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 HSD17B10 578/4885TSHR 420/4885MAPK1 2894/4885

“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.