SCHEMBL6449142

SCHEMBL6449142

CCC(C)(C)c1cc(-c2ccc(C=O)cn2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
PTPN11 Q06124 1/20 0.36
NR0B2 Q15466 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
MITF O75030 1/20 0.35
KLF5 Q13887 1/20 0.35
CYP11B1 P15538 1/20 0.35
RAB9A P51151 7/20 0.35
PTGS2 P35354 1/20 0.35
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
NPC1 O15118 6/20 0.33
PTPN1 P18031 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TRIM24 O15164 1/20 0.33

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
SCHEMBL6449261 0.79 PIM1 (0.51) HPGDRAB9APTGS2NPC1TDP1
SCHEMBL6449258 0.79 PIM1 (0.51) HPGDRAB9APTGS2NPC1TDP1
SCHEMBL6449181 0.79 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2MITFCYP11B1MAPT
SCHEMBL6618043 0.77 TRIM24 (0.46) ALDH1A1PTPN11NR0B2KDM4EHPGD
SCHEMBL6622832 0.74 ALDH1A1 (0.34) ALDH1A1PTPN11NR0B2KDM4EHPGD
SCHEMBL6634929 0.73 RARB (0.34) PTPN11NR0B2HSD17B1ERN1RARB
SCHEMBL4621426 0.72 ALDH1A1 (0.46) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL31449906 0.71 KDM4E (0.50) ALDH1A1KDM4EHPGDRAB9APTGS2
SCHEMBL6706881 0.71 ESR1 (0.40) ERN1
SCHEMBL6624095 0.71 ALDH1A1 (0.43) ALDH1A1HSD17B1HSD17B2ERN1MAPT

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 15/4885PTPN11 4514/4885NR0B2 37/4885

“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.