SCHEMBL21896032

SCHEMBL21896032

O=C(OCc1ccc2ccccc2c1)C1CC2CCC1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.47
SLC6A3 Q01959 6/20 0.47
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 3/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR4 Q13639 1/20 0.41
KCNH2 Q12809 2/20 0.40
REN P00797 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL21895380 0.84 HPGD (0.58) SLC6A3HPGDL3MBTL1KDM4EHTT
SCHEMBL21895385 0.81 ALDH1A1 (0.41) SLC6A3HPGDL3MBTL1HSD17B10ALDH1A1
SCHEMBL21895378 0.80 FABP7 (0.46) HPGDHTTALDH1A1
SCHEMBL21896023 0.79 NPC1 (0.44) HPGDL3MBTL1KDM4EHTTALDH1A1
SCHEMBL21895657 0.79 SLC6A3 (0.46) SLC6A3HPGDL3MBTL1ALDH1A1
SCHEMBL21895654 0.79 HPGD (0.40) HPGDL3MBTL1HSD17B10ALDH1A1
SCHEMBL921478 0.78 L3MBTL1 (0.51) SLC6A4SLC6A3L3MBTL1SLC6A2HTR2A
SCHEMBL21896027 0.78 EPHX1 (0.50) HPGDL3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL30258886 0.77 HPGD (0.49) SLC6A3HPGDL3MBTL1SLC6A2ALDH1A1
SCHEMBL21895425 0.77 HPGD (0.41) SLC6A3HPGDL3MBTL1KDM4EHTT

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 SLC6A4 3611/4885SLC6A3 3883/4885HPGD 893/4885

“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.