SCHEMBL6510985

SCHEMBL6510985

CC(C)c1cn([Si](C)(C)C(C)(C)C)c2ccc(Br)cc12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.33
CYP19A1 P11511 8/20 0.33
KCNH2 Q12809 1/20 0.32
MAPT P10636 3/20 0.31
CYP2C19 P33261 1/20 0.31
APLNR P35414 2/20 0.31
FABP4 P15090 2/20 0.31
DNM1 Q05193 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
HTR6 P50406 1/20 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
SCHEMBL7091165 0.83 KCNH2 (0.32) KCNH2
SCHEMBL3162767 0.81 PDE4B (0.38) PDE4BCYP19A1KCNH2MAPTCYP2C19
SCHEMBL6510929 0.80 KCNH2 (0.33) KCNH2
SCHEMBL7006178 0.78 CDC7 (0.32)
SCHEMBL4142457 0.77 MAPT (0.34) MAPTDNM1SMN1; SMN2ALDH1A1
SCHEMBL15723792 0.73 CYP19A1 (0.48) PDE4BCYP19A1KCNH2MAPTDNM1
SCHEMBL17195606 0.72 PDE4B (0.49) PDE4BCYP19A1KCNH2MAPTCYP2C19
SCHEMBL7015831 0.72 HTR6 (0.43) MAPTDNM1SMN1; SMN2HTR6
SCHEMBL18191223 0.72 MAPT (0.41) MAPTDNM1SMN1; SMN2NPC1ALDH1A1
SCHEMBL3413348 0.71 SMN1; SMN2 (0.33) MAPTDNM1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO 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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 PDE4B 1382/4885CYP19A1 617/4885KCNH2 3094/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP PDE4B 939/4885CYP19A1 475/4885KCNH2 3228/4885

“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.