SCHEMBL18506541

SCHEMBL18506541

CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(C)=O)C(=O)COC(=O)Cl)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.64
PGR P06401 3/20 0.64
CHRM1 P11229 2/20 0.64
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HIF1A Q16665 5/20 0.56
LMNA P02545 1/20 0.56
SERPINA6 P08185 1/20 0.56
NR3C2 P08235 7/20 0.56
NR3C1 P04150 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
BLM P54132 1/20 0.49
TSHR P16473 1/20 0.49
PMP22 Q01453 1/20 0.48

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
SCHEMBL11525865 0.94 AR (0.71) ARPGRCHRM1CYP3A4ALDH1A1
SCHEMBL11525870 0.94 AR (0.71) ARPGRCHRM1CYP3A4ALDH1A1
SCHEMBL18506544 0.89 NR3C2 (0.68) ARPGRCHRM1CYP3A4ALDH1A1
SCHEMBL18506540 0.89 PGR (0.60) ARPGRCHRM1CYP3A4ALDH1A1
SCHEMBL22605938 0.88 PGR (0.51) ARPGRCHRM1CYP3A4ALDH1A1
SCHEMBL10380853 0.84 PGR (0.87) ARPGRCHRM1CYP3A4HIF1A
SCHEMBL10380855 0.84 PGR (0.87) ARPGRCHRM1CYP3A4HIF1A
SCHEMBL1247962 0.84 PGR (0.87) ARPGRCHRM1CYP3A4HIF1A
SCHEMBL6944506 0.82 AR (0.63) ARPGRCHRM1CYP3A4ALDH1A1
SCHEMBL11244221 0.82 AR (0.63) ARPGRCHRM1CYP3A4ALDH1A1

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-20170043024-A1 BIOACTIVE CONJUGATES FOR OLIGONUCLEOTIDE DELIVERY UNIVERSITY OF MASSACHUSETTS 2017-02-16 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-20170043024-A1 BIOACTIVE CONJUGATES FOR OLIGONUCLEOTIDE DELIVERY DCLRE1B, RTCB, RNASE1 AR 2144/4885PGR 3592/4885CHRM1 4764/4885

“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.