SCHEMBL6700604

SCHEMBL6700604

CC(C)[Si](Oc1ccc(C(=O)C(Br)c2cccnc2)cc1)(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KCNA5 P22460 3/20 0.38
TBXAS1 P24557 2/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 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
SCHEMBL2099208 0.85 CES2 (0.42) MAPTALDH1A1KMT2APOLBRAB9A
SCHEMBL6498922 0.84 KMT2A (0.55) MAPTALDH1A1KMT2APOLBRAB9A
SCHEMBL6695151 0.84 ALDH1A1 (0.36) MAPTALDH1A1KMT2A
Bromide SCHEMBL6282381 0.83 KMT2A (0.53) MAPTALDH1A1KMT2APOLBRAB9A
SCHEMBL2935375 0.80 LMNA (0.36) MAPTALDH1A1KMT2APOLBHPGD
SCHEMBL7142799 0.80 NAMPT (0.49) MAPTALDH1A1KMT2AKCNA5TBXAS1
SCHEMBL2936991 0.79 CA12 (0.37) MAPTALDH1A1KMT2A
SCHEMBL6779593 0.79 ALDH1A1 (0.49) MAPTALDH1A1KMT2APOLBRAB9A
Bromide SCHEMBL6276160 0.79 NAMPT (0.48) MAPTALDH1A1KMT2AKCNA5TBXAS1
SCHEMBL7149156 0.78 CYP17A1 (0.49) MAPTALDH1A1KMT2ATBXAS1RAB9A

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-20040044226-A1 Estrogen receptor modulators DININNO FRANK P (US) 2004-03-04 US disclosed
EP-1333827-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-08-13 EP disclosed
EP-1328522-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-07-23 EP disclosed
WO-2002032373-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-04-25 WO disclosed
WO-2002032377-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-04-25 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 (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-20040044226-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA MAPT 1213/4885ALDH1A1 1455/4885KMT2A 1157/4885

“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.