SCHEMBL6690529

SCHEMBL6690529

CC(C)[Si](Oc1ccc(C(=O)Cc2ccncc2)cc1)(C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.48
NAMPT P43490 3/20 0.42
MMP13 P45452 3/20 0.41
LMNA P02545 3/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
STS P08842 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
STAT3 P40763 1/20 0.39
MAPK14 Q16539 1/20 0.39
MMP1 P03956 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL2103554 0.87 STS (0.54) KMT2ANPC1STSPPARGPPARA
SCHEMBL6780164 0.86 NPC1 (0.56) LMNAKMT2AHTTNPC1SMN1; SMN2
SCHEMBL3271553 0.84 CYP19A1 (0.47) CYP19A1NAMPTLMNAKMT2AHTT
SCHEMBL6777630 0.84 NPC1 (0.45) LMNAKMT2AHTTNPC1SMN1; SMN2
SCHEMBL6784674 0.84 PLAU (0.48) LMNAHTTNPC1STSSMN1; SMN2
SCHEMBL6690214 0.84 POLB (0.49) CYP19A1MMP13LMNAHTTSMN1; SMN2
SCHEMBL2938988 0.81 NPC1 (0.42) LMNABCHEACHEKMT2AHTT
SCHEMBL2522956 0.80 NPC1 (0.59) NAMPTLMNABCHEACHEKMT2A
SCHEMBL2937613 0.79 NPC1 (0.42) LMNAHTTNPC1STSPPARG
SCHEMBL2099154 0.79 ABCB1 (0.48) KMT2AHTTNPC1SMN1; SMN2RAB9A

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 CYP19A1 8/4885NAMPT 4836/4885MMP13 701/4885

“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.