SCHEMBL21895658

SCHEMBL21895658

CSc1ccc(COC(=O)C2CC3CCC2C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35

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
SCHEMBL21896023 0.85 NPC1 (0.44) HPGDNPC1RAB9AL3MBTL1MAPT
SCHEMBL21895378 0.83 FABP7 (0.46) HPGDALDH1A1KMT2ATSHRHTT
SCHEMBL21895425 0.83 HPGD (0.41) HPGDNPC1RAB9AL3MBTL1MAPT
SCHEMBL21895657 0.83 SLC6A3 (0.46) HPGDNPC1RAB9AL3MBTL1MAPT
SCHEMBL21895380 0.82 HPGD (0.58) HPGDNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL21895654 0.82 HPGD (0.40) HPGDNPC1RAB9AL3MBTL1MAPT
SCHEMBL23912199 0.81 ALDH1A1 (0.50) HPGDNPC1RAB9AMAPTALDH1A1
SCHEMBL21895387 0.80 CYP3A4 (0.41) HPGDMAPTALDH1A1MAPK1MEN1
SCHEMBL21895385 0.77 ALDH1A1 (0.41) HPGDNPC1RAB9AL3MBTL1MAPT
SCHEMBL21895676 0.75 ALDH1A1 (0.51) HPGDNPC1RAB9AL3MBTL1MAPT

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-20200115400-A1 METHOD FOR PRODUCING SILICON COMPOUND, AND SILICON COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-04-16 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-20200115400-A1 METHOD FOR PRODUCING SILICON COMPOUND, AND SILICON COMPOUND SI, SIK1, CA1 HPGD 893/4885NPC1 3325/4885RAB9A 3202/4885

“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.