SCHEMBL21895385

SCHEMBL21895385

O=C(OCc1ccc(F)c(F)c1)C1CC2CCC1C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
PREP P48147 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SLC6A3 Q01959 1/20 0.36
EPHX2 P34913 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL21895657 0.85 SLC6A3 (0.46) ALDH1A1HPGDL3MBTL1POLBSLC6A3
SCHEMBL21895386 0.83 HPGD (0.40) ALDH1A1HPGDL3MBTL1POLBSLC6A3
SCHEMBL21896032 0.81 SLC6A4 (0.47) ALDH1A1HPGDL3MBTL1SLC6A3HSD17B10
SCHEMBL21896023 0.80 NPC1 (0.44) ALDH1A1HPGDL3MBTL1POLBNPC1
SCHEMBL21895380 0.80 HPGD (0.58) ALDH1A1HPGDL3MBTL1SLC6A3NPC1
SCHEMBL21895387 0.80 CYP3A4 (0.41) ALDH1A1HPGDMAOBGRM2GRM3
SCHEMBL21895378 0.78 FABP7 (0.46) ALDH1A1HPGD
SCHEMBL21895425 0.78 HPGD (0.41) ALDH1A1HPGDMAOAMAOBL3MBTL1
SCHEMBL21895654 0.77 HPGD (0.40) ALDH1A1HPGDL3MBTL1LMNAPOLB
SCHEMBL21895658 0.77 HPGD (0.40) ALDH1A1HPGDL3MBTL1POLBSLC6A3

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 ALDH1A1 881/4885HPGD 893/4885ATM 1308/4885

“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.