SCHEMBL6449181

SCHEMBL6449181

CCC(C)(C)c1cc(-c2ccc(C=O)cn2)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
MAPK1 P28482 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
DRD2 P14416 1/20 0.32
CYP11B1 P15538 1/20 0.32
PREP P48147 1/20 0.31
FDPS P14324 1/20 0.31
MAPT P10636 2/20 0.30
HTT P42858 2/20 0.30
UBE2N P61088 2/20 0.30
GLA P06280 1/20 0.30
MITF O75030 1/20 0.30
NR3C1 P04150 1/20 0.30
NR3C2 P08235 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
SCHEMBL6623060 0.82 TRIM24 (0.36) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL4622962 0.80 S1PR1 (0.35) KMT2ANPSR1DRD2CYP11B1FDPS
SCHEMBL6449142 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CYP11B1MAPTMITF
SCHEMBL6449130 0.78 ALOX5AP (0.45) ALDH1A1MAPK1SMN1; SMN2MAPTHTT
SCHEMBL6449762 0.77 PTGDR2 (0.37)
SCHEMBL6706958 0.76 KDM4E (0.41) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL5828071 0.76 HDAC11 (0.41) MEN1KMT2A
SCHEMBL6448162 0.71 PTGDR2 (0.39) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL1620788 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NPSR1DRD2FDPS
SCHEMBL3426180 0.70 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases INCYTE CORPORATION 2005-01-20 US disclosed
WO-2004066952-A2 BENZOXAZOLE, BENZOTHIAZOLE, AND BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER DISEASES INCYTE CORPORATION (US) 2004-08-12 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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases AR, CCNT1, BRD1 ALDH1A1 15/4885MEN1 3126/4885MAPK1 1799/4885

“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.