SCHEMBL21895657

SCHEMBL21895657

O=C(OCc1ccc(F)cc1)C1CC2CCC1C2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.46
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL21895386 0.86 HPGD (0.40) SLC6A3HPGDL3MBTL1POLBALDH1A1
SCHEMBL21896023 0.86 NPC1 (0.44) HPGDL3MBTL1POLBALDH1A1NPC1
SCHEMBL21895380 0.86 HPGD (0.58) SLC6A3FABP7FABP5HPGDL3MBTL1
SCHEMBL21895387 0.85 CYP3A4 (0.41) HPGDALDH1A1MAPTMAPK1
SCHEMBL21895385 0.85 ALDH1A1 (0.41) SLC6A3HPGDL3MBTL1POLBALDH1A1
SCHEMBL21895425 0.84 HPGD (0.41) SLC6A3HPGDL3MBTL1POLBALDH1A1
SCHEMBL21895378 0.84 FABP7 (0.46) FABP7FABP5HPGDALDH1A1
SCHEMBL21895658 0.83 HPGD (0.40) SLC6A3HPGDL3MBTL1POLBALDH1A1
SCHEMBL21895654 0.83 HPGD (0.40) HPGDL3MBTL1POLBALDH1A1NPC1
SCHEMBL23912199 0.82 ALDH1A1 (0.50) SLC6A3HPGDPOLBALDH1A1NPC1

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 SLC6A3 3883/4885FABP7 4297/4885FABP5 4263/4885

“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.