SCHEMBL3268285

SCHEMBL3268285

CCCc1c(C)cc(C)c(C)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ PGK2 P07205 1/20 0.33
▸ LDHA P00338 1/20 0.33
▸ LDHB P07195 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ ALDH1A2 O94788 2/20 0.32
▸ ALDH2 P05091 2/20 0.32
▸ ALDH1B1 P30837 2/20 0.32
▸ ALDH1A3 P47895 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ NOS2 P35228 1/20 0.31
▸ HPGD P15428 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
SCHEMBL22599825 0.85 HSD17B10 (0.37) HSD17B3PGK1PGK2LDHALDHB
SCHEMBL3269286 0.84 PGK1 (0.35) PGK1PGK2ALDH1A1HSD17B10USP2
SCHEMBL1311847 0.76 CYP3A4 (0.38) LDHALDHBALDH1A1TSHRHSD17B10
SCHEMBL15338688 0.74 SRC (0.44) LDHALDHBALDH1A1ALDH1A2ALDH2
SCHEMBL18077441 0.72 HPGD (0.39) PGK1PGK2ALDH1A1HSD17B10USP2
SCHEMBL3267902 0.70 TYR (0.33) ALDH1A1TSHRHPGDRAB9A
SCHEMBL3267611 0.69 CYP3A4 (0.32) ALDH1A1USP2CYP3A4
SCHEMBL30631691 0.69 HPGD (0.40) PGK1PGK2ALDH1A1HSD17B10USP2
Propionaldehyde SCHEMBL27677661 0.68 ALDH1A1 (0.47) PGK1PGK2ALDH1A1TSHR
SCHEMBL1313257 0.68 CYP3A4 (0.35) LDHALDHBALDH1A1TSHRHSD17B10

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
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 — — EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 — — US disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 — — EP 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 HSD17B3 969/4885PGK1 3760/4885PGK2 3863/4885

“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.

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