SCHEMBL39762

SCHEMBL39762

CC(C)COC(=O)c1cc(O)cc(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.63
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA7 P43166 3/20 0.63
CA9 Q16790 3/20 0.63
CA14 Q9ULX7 3/20 0.63
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
GPR35 Q9HC97 1/20 0.48
SERPINE1 P05121 1/20 0.47
TYR P14679 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL20644673 0.96 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL6580266 0.88 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL39620 0.83 SERPINE1 (0.69) ALDH1A1TSHRSERPINE1TYRKDM4E
SCHEMBL163932 0.82 ADRB2 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL20068189 0.81 ESR1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL34633 0.81 ADRB2 (0.64) CA12CA1CA2CA7CA9
SCHEMBL6578061 0.81 MAPT (0.53) CA12CA1CA2CA7CA9
SCHEMBL24210351 0.80 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL20644671 0.80 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL110051 0.79 ALDH1A1 (0.64) CA12CA1CA2CA7CA9

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 4 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
CN-102958361-A Herbicidal compositions BASF SE 2013-03-06 CN 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 CA12 3500/4885CA1 1296/4885CA2 1050/4885

“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.