SCHEMBL21272273

SCHEMBL21272273

Cc1cc(C)c(C2=C[Si](C)(C)C(c3cccnc3)=C2c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 5/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPY5R Q15761 1/20 0.36
CYP17A1 P05093 2/20 0.36
CYP2E1 P05181 2/20 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
SCHEMBL17008153 0.82 CYP2A6 (0.43) CYP2A6ALDH1A1NPC1RAB9ATP53
SCHEMBL28377734 0.78 RXFP1 (0.36) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL21272265 0.76 KDM4E (0.39) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16685271 0.75 CYP2A6 (0.54) CYP2A6ALDH1A1NPC1RAB9ATP53
SCHEMBL21272272 0.75 CYP2A6 (0.42) CYP2A6ALDH1A1NPC1RAB9ATP53
SCHEMBL23242620 0.73 CYP2A6 (0.52) CYP2A6ALDH1A1NPC1RAB9ATP53
SCHEMBL28122684 0.73 CYP2A6 (0.52) CYP2A6ALDH1A1NPC1RAB9ATP53
SCHEMBL28377175 0.70 KDM4E (0.43) ALDH1A1NPC1TP53SMN1; SMN2MAPT
SCHEMBL28431976 0.69 ACLY (0.53) CYP2A6ALDH1A1NPC1RAB9ATP53
SCHEMBL13785062 0.66 CYP2A6 (0.47) CYP2A6ALDH1A1NPC1RAB9ATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407774-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-08-09 US disclosed
US-20190256538-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2019-08-22 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 (2 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-11407774-B2 Polycyclic aromatic compound ETV6, EML4, EBPL CYP2A6 3848/4885ALDH1A1 3563/4885NPC1 1305/4885
US-20190256538-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EML4, EBPL CYP2A6 3848/4885ALDH1A1 3563/4885NPC1 1305/4885

“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.