SCHEMBL14729818

SCHEMBL14729818

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(OS)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.61
SRD5A1 P18405 4/20 0.61
LMNA P02545 4/20 0.55
SHBG P04278 2/20 0.55
SERPINA6 P08185 2/20 0.55
G6PD P11413 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 2/20 0.53
TSHR P16473 2/20 0.53
HIF1A Q16665 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
AR P10275 2/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL370474 0.91 SRD5A2 (0.62) SRD5A2SRD5A1LMNASHBGSERPINA6
SCHEMBL13265741 0.91 SRD5A2 (0.62) SRD5A2SRD5A1LMNASHBGSERPINA6
SCHEMBL7622300 0.91 SRD5A2 (0.62) SRD5A2SRD5A1LMNASHBGSERPINA6
SCHEMBL30332128 0.90 SRD5A2 (0.61) SRD5A2SRD5A1LMNASHBGSERPINA6
SCHEMBL11213645 0.88 SRD5A2 (0.59) SRD5A2SRD5A1LMNASHBGSERPINA6
Quingestrone SCHEMBL145789 0.87 SRD5A2 (0.58) SRD5A2SRD5A1LMNASHBGSERPINA6
SCHEMBL13240146 0.86 SRD5A2 (0.58) SRD5A2SRD5A1LMNASHBGSERPINA6
SCHEMBL14726730 0.85 AR (0.71) SRD5A2SRD5A1LMNASHBGSERPINA6
SCHEMBL13378032 0.85 AR (0.71) SRD5A2SRD5A1LMNASHBGSERPINA6
SCHEMBL11515941 0.85 SRD5A2 (0.65) SRD5A2SRD5A1LMNASHBGSERPINA6

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-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS KYOTO UNIVERSITY (JP) 2013-02-28 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-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS AKR7A2, MSMO1, CYP2E1 SRD5A2 18/4885SRD5A1 48/4885LMNA 1285/4885

“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.