SCHEMBL38648

SCHEMBL38648

CCC(C)c1c(C(=O)O)ccc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.50
SELP P16109 1/20 0.50
TSHR P16473 2/20 0.39
CSNK2A1 P68400 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
PDE4A P27815 1/20 0.37
BLVRB P30043 1/20 0.37
KDR P35968 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KLKB1 P03952 1/20 0.37
CTSB P07858 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL6448117 0.85 CYP1A2 (0.42) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL10397287 0.82 ALDH1A1 (0.38) SELLSELPTSHRCSNK2A1ALDH1A1
SCHEMBL39247 0.82 SELL (0.57) SELLSELPTSHRCSNK2A1ALDH1A1
SCHEMBL10398445 0.81 ALDH1A1 (0.41) SELLSELPTSHRCSNK2A1ALDH1A1
SCHEMBL39232 0.81 SELL (0.38) SELLSELPTSHRCSNK2A1ALDH1A1
SCHEMBL3391262 0.78 POLB (0.45) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL10722028 0.77 LMNA (0.45) SELLSELPALDH1A1HPGDALOX15
SCHEMBL11044318 0.76 TSHR (0.39) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL6445692 0.75 ACE2 (0.39) TSHRALDH1A1PKMRORCPPARA
SCHEMBL10728235 0.75 SELL (0.48) SELLSELPCSNK2A1ALDH1A1HPGD

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-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 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-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT SELL 4737/4885SELP 4179/4885TSHR 2587/4885

“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.