SCHEMBL17424522

SCHEMBL17424522

C[Si](C)(C)c1cc2c(=O)[nH]c(=O)c3cc([Si](C)(C)C)sc3c2s1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 5/20 0.34
▸ ADORA1 P30542 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ SHMT2 P34897 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ PARP1 P09874 2/20 0.30

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
SCHEMBL10085120 0.72 — —
SCHEMBL15281526 0.68 GSK3B (0.33) —
SCHEMBL793207 0.67 ABCB11 (0.37) HPGDALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL793629 0.64 NQO2 (0.36) MAPTKDM4E
SCHEMBL30488643 0.64 — —
SCHEMBL14691351 0.63 USP8 (0.30) —
SCHEMBL15277875 0.63 PDPK1 (0.34) TMIGD3ADORA1ALDH1A1PDPK1
SCHEMBL11325702 0.61 SRC (0.46) CYP1A2HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL342450 0.61 SRC (0.46) CYP1A2HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL19352840 0.60 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9716241-B2 Polycyclic dithiophenes BASF SE (DE) 2017-07-25 — — US disclosed
US-20160104849-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2016-04-14 — — US disclosed
US-9233930-B2 Polycyclic dithiophenes BASF SE (DE) 2016-01-12 — — 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-20160104849-A1 POLYCYCLIC DITHIOPHENES C1R, C2CD5, CBR3 TMIGD3 3243/4885ADORA1 2558/4885CYP1A2 3622/4885

“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.

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