SCHEMBL10085128

SCHEMBL10085128

C[Si](C)(C)c1cc2c3c(c4cc([Si](C)(C)C)sc4c2s1)C(=O)c1ccccc1C3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ MAPK1 P28482 6/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ EGFR P00533 2/20 0.38
▸ BCL2 P10415 2/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ TERT O14746 2/20 0.37
▸ ADORA1 P30542 1/20 0.36
▸ MAOA P21397 4/20 0.36
▸ ADORA2A P29274 2/20 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
SCHEMBL17424522 0.69 TMIGD3 (0.34) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL793629 0.69 NQO2 (0.36) MAPTKMT2AMEN1KDM4ECASP1
SCHEMBL5850565 0.65 MEN1 (0.58) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL22000862 0.64 KMT2A (0.50) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL12447056 0.62 CES1 (0.30) CES1
SCHEMBL793199 0.62 CES1 (0.30) CES1
SCHEMBL359002 0.61 MEN1 (0.52) MAPTKMT2AMEN1ALDH1A1TDP1
Anthraquinone SCHEMBL28260408 0.61 MEN1 (0.92) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL21970645 0.60 MAOB (0.65) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL21969725 0.60 MAPT (0.53) MAPTKMT2AMEN1ALDH1A1TDP1

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 7 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-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-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
US-9233930-B2 Polycyclic dithiophenes BASF SE (DE) 2016-01-12 — — US disclosed
US-20120097935-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2012-04-26 — — 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-20160104849-A1 POLYCYCLIC DITHIOPHENES C1R, C2CD5, CBR3 MAPT 3959/4885KMT2A 2085/4885MEN1 628/4885
US-20120097935-A1 POLYCYCLIC DITHIOPHENES C1R, IPO5, C2CD5 MAPT 3326/4885KMT2A 3371/4885MEN1 944/4885

“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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