SCHEMBL6837069

SCHEMBL6837069

CC(CC12CC3CC(CC(C3)C1)C2)OC=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 4/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 3/20 0.33
EPHX2 P34913 2/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24110766 0.75 ALDH1A1 (0.38) SLC22A2SLC47A1SMN1; SMN2KMT2AGRIN2D
SCHEMBL112621 0.71 ALDH1A1 (0.44) SMN1; SMN2MAPTKMT2AALDH1A1NPSR1
SCHEMBL1397055 0.71 SMN1; SMN2 (0.38) SMN1; SMN2MAPTKMT2AALDH1A1NPSR1
SCHEMBL3511589 0.71 SLC22A2 (0.50) SLC22A2SLC47A1SMN1; SMN2MAPTKMT2A
SCHEMBL2269134 0.71 GRIN2D (0.43) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL2265888 0.71 GRIN2D (0.43) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL5252707 0.71 GRIN2D (0.46) SLC22A2SLC47A1SMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL11637716 0.70 MAPT (0.52) SLC22A2SLC47A1SMN1; SMN2MAPTKMT2A
SCHEMBL365663 0.69 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AALDH1A1NPSR1MEN1
SCHEMBL10229339 0.68 NPSR1 (0.38) SLC22A2SLC47A1MAPTALDH1A1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109219612-A Prepare 17 (20)-alkene B- open loop steroids method and intermediate 帕西昂奥地利有限两合公司 2019-01-15 CN disclosed
US-20040171797-A1 Method for synthesizing KPV tripeptide diamide derivates L'OREAL (FR) 2004-09-02 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-20040171797-A1 Method for synthesizing KPV tripeptide diamide derivates DNPEP, VIP, PREP SLC22A2 3027/4885SLC47A1 2812/4885SMN1; SMN2 3669/4885

“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.