SCHEMBL19961981

SCHEMBL19961981

COc1ccc2c(c1)CCC1C2CCC2(C)C(OC)CCC12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.77
LMNA P02545 6/20 0.76
HSD17B10 Q99714 1/20 0.76
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
STS P08842 3/20 0.64
CYP3A4 P08684 3/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
ABCC4 O15439 2/20 0.64
TP53 P04637 1/20 0.64
RECQL P46063 2/20 0.64
HSD17B1 P14061 1/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
THRB P10828 1/20 0.61
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
BRCA1 P38398 1/20 0.59

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
SCHEMBL11303367 1.00 ESR1 (0.77) ESR1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL6856667 1.00 ESR1 (0.77) ESR1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL11743425 0.89 ESR1 (0.71) ESR1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL14035876 0.89 ESR1 (0.71) ESR1LMNAHSD17B10MAPTSMN1; SMN2
Promestriene SCHEMBL5188890 0.87 ESR1 (0.61) ESR1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL12449418 0.87 ESR1 (1.00) ESR1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL5168738 0.87 STS (0.85) ESR1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL2232043 0.87 ESR1 (1.00) ESR1LMNAHSD17B10MAPTSMN1; SMN2
Promestriene SCHEMBL31613772 0.87 ESR1 (0.61) ESR1LMNAHSD17B10MAPTSMN1; SMN2
Promestriene SCHEMBL518228 0.87 ESR1 (0.61) ESR1LMNAHSD17B10MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071316-A1 Compositions And Methods For Treating Dementia HOFFMAN STEVEN (US) 2018-03-15 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-20180071316-A1 Compositions And Methods For Treating Dementia PSEN2, PSEN1, CHAT ESR1 3252/4885LMNA 445/4885HSD17B10 2172/4885

“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.