SCHEMBL20101104

SCHEMBL20101104

Cc1c(C)c(C)c(CC(=O)O)c(O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.40
IMPDH2 P12268 4/20 0.39
KDM4E B2RXH2 5/20 0.35
GAA P10253 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA2 P00918 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FASN P49327 1/20 0.33
AKR1C2 P52895 1/20 0.33
POLB P06746 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
SCHEMBL723703 0.91 AKR1B1 (0.40) AKR1B1IMPDH2KDM4EGAAMAPT
SCHEMBL12042065 0.85 AKR1B1 (0.41) AKR1B1IMPDH2KDM4EGAAMAPT
SCHEMBL11744319 0.82 AKR1B1 (0.42) AKR1B1KDM4EGAAMAPTALDH1A1
SCHEMBL10000754 0.80 AKR1B1 (0.36) AKR1B1IMPDH2KDM4EGAAMAPT
SCHEMBL17772627 0.76 HSP90AB1 (0.42) IMPDH2KDM4EGAAMAPTALDH1A1
SCHEMBL12244037 0.74 POLB (0.37) AKR1B1KDM4EGAAMAPTALDH1A1
SCHEMBL10606158 0.73 IMPDH2 (0.50) IMPDH2
SCHEMBL11803971 0.73 AKR1B1 (0.44) AKR1B1KDM4EGAAMAPTALDH1A1
SCHEMBL12257183 0.73 PTGS1 (0.36) AKR1B1IMPDH2KDM4EGAAMAPT
SCHEMBL12257182 0.71 PTGS1 (0.38) AKR1B1KDM4EGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180116219-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-03 US 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-20180116219-A1 HERBICIDAL COMPOUNDS DDT, HPD, HDHD5 AKR1B1 500/4885IMPDH2 392/4885KDM4E 671/4885

“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.