SCHEMBL20101787

SCHEMBL20101787

Oc1ccccc1[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
CA4 P22748 4/20 0.43
CA12 O43570 4/20 0.43
CA14 Q9ULX7 4/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 3/20 0.43
LMNA P02545 3/20 0.43
CA3 P07451 2/20 0.43
NPC1 O15118 2/20 0.43
EGFR P00533 2/20 0.43
FYN P06241 2/20 0.43
MAPT P10636 2/20 0.43
MMP9 P14780 2/20 0.43
RECQL P46063 2/20 0.43
GMNN O75496 1/20 0.43

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
SCHEMBL9149994 0.81 CALM1 (0.35) CA2ALDH1A1HPGDCA4CA12
Benzene SCHEMBL27873242 0.71 ALDH1A1 (0.40) CA2ALDH1A1HPGDCA4CA12
SCHEMBL38902 0.71 ALDH1A1 (0.40) CA2ALDH1A1HPGDCA4CA12
SCHEMBL17240222 0.70 ALDH1A1 (0.50) CA2ALDH1A1HPGDCA4CA12
SCHEMBL29201094 0.70 TSHR (0.43) ALDH1A1HPGDLMNATSHRCYP1A2
SCHEMBL28482232 0.70 ALDH1A1 (0.37) CA2ALDH1A1CA4TDP1CA1
SCHEMBL29201076 0.70 ACHE (0.35) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27966595 0.70 IDO1 (0.32)
SCHEMBL19335701 0.70 TSHR (0.43) CA2ALDH1A1TDP1LMNAMAPT
SCHEMBL9360398 0.70 CYP3A4 (0.43) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2

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-20180123057-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-03 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-20180123057-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME BMI1, PIEZO1, ETV6 CA2 2119/4885ALDH1A1 151/4885HPGD 3286/4885

“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.