SCHEMBL23027370

SCHEMBL23027370

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCCOCCCOC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.71
HSD17B1 P14061 2/20 0.58
ESR1 P03372 9/20 0.55
ESR2 Q92731 7/20 0.55
HSD17B10 Q99714 4/20 0.55
LMNA P02545 4/20 0.55
STS P08842 4/20 0.55
PGR P06401 4/20 0.55
AR P10275 4/20 0.55
SLC6A4 P31645 4/20 0.55
SLC6A3 Q01959 4/20 0.55
SERPINA6 P08185 3/20 0.55
SNCA P37840 3/20 0.55
HIF1A Q16665 3/20 0.55
CYP3A4 P08684 3/20 0.55
HTR2B P41595 3/20 0.55
NR3C1 P04150 3/20 0.55
AKR1B10 O60218 2/20 0.55
CYP1A2 P05177 2/20 0.55
MAPT P10636 2/20 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
SCHEMBL7864592 0.84 SHBG (1.00) SHBGHSD17B1ESR1ESR2HSD17B10
SCHEMBL172746 0.84 SHBG (1.00) SHBGHSD17B1ESR1ESR2HSD17B10
SCHEMBL29643366 0.84 SHBG (1.00) SHBGHSD17B1ESR1ESR2HSD17B10
SCHEMBL712443 0.84 SHBG (1.00) SHBGHSD17B1ESR1ESR2HSD17B10
SCHEMBL30887222 0.75 STS (0.68) SHBGESR1ESR2STSPGR
SCHEMBL22631528 0.75 STS (0.68) SHBGESR1ESR2STSPGR
SCHEMBL20374573 0.75 STS (0.68) SHBGESR1ESR2STSPGR
SCHEMBL14833587 0.75 SHBG (0.62) SHBGHSD17B1ESR1ESR2HSD17B10
Estradiol SCHEMBL6895225 0.74 ESR1 (0.91) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL28373123 0.74 SHBG (0.81) SHBGHSD17B1ESR1ESR2HSD17B10

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-20210052736-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES APOSENSE LTD (IL) 2021-02-25 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-20210052736-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES LDLR, NPC1L1, ABCB4 SHBG 3591/4885HSD17B1 2481/4885ESR1 831/4885

“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.