SCHEMBL6584082

SCHEMBL6584082

C=Cc1cccc2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.38
MTNR1B P49286 2/20 0.38
HTR2A P28223 3/20 0.33
KRAS P01116 1/20 0.32
NQO2 P16083 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL31656345 0.79 MTNR1A (0.56) MTNR1AMTNR1BHTR2ASIRT2SIRT1
SCHEMBL1885376 0.79 MTNR1A (0.56) MTNR1AMTNR1BHTR2ASIRT2SIRT1
SCHEMBL6417161 0.78 HTR2A (0.35) MTNR1AMTNR1BHTR2AKRASNQO2
SCHEMBL31670075 0.74 CYP2A6 (0.52) HTR2AHTR2CHTR2BCYP1A2MAPK1
SCHEMBL190823 0.74 TRPA1 (0.34) NQO2HTR2CALDH1A1CYP1A2MAPT
SCHEMBL12387362 0.74 TDP1 (0.30)
SCHEMBL6410573 0.73 MTNR1A (0.47) MTNR1ANQO2ALDH1A1CYP1A2CYP2C9
SCHEMBL6583218 0.72 HTR2A (0.49) MTNR1AMTNR1BHTR2ANQO2HTR2C
SCHEMBL5888734 0.72 TP53 (0.44) NQO2MEN1ALDH1A1MAPTCYP2C9
SCHEMBL12387361 0.71

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-20040259875-A1 Amine derivatives BAYER HEALTHCARE AG (DE) 2004-12-23 US disclosed
EP-1414788-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003014064-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-02-20 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-20040259875-A1 Amine derivatives AVPR1A, GRIN1, OPRL1 MTNR1A 38/4885MTNR1B 55/4885HTR2A 140/4885

“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.