SCHEMBL869286

SCHEMBL869286

CC1(C)OC[C@@H](c2ccco2)N1C(=O)C(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
SRC P12931 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31606576 1.00 PKM (0.40) PKMKDM4ENPSR1RAB9ALMNA
SCHEMBL27329273 1.00 PKM (0.40) PKMKDM4ENPSR1RAB9ALMNA
Furilazole SCHEMBL124162 0.73 ALDH1A1 (0.38) PKMKDM4ENPSR1NPC1MEN1
Furilazole SCHEMBL8462067 0.73 ALDH1A1 (0.38) PKMKDM4ENPSR1NPC1MEN1
Furilazole SCHEMBL12490154 0.73 ALDH1A1 (0.38) PKMKDM4ENPSR1NPC1MEN1
Furilazole SCHEMBL167569 0.73 ALDH1A1 (0.38) PKMKDM4ENPSR1NPC1MEN1
SCHEMBL3640945 0.70 MEN1 (0.30) MEN1KMT2AALDH1A1
SCHEMBL909811 0.70 NPC1 (0.37) PKMKDM4ENPSR1NPC1MEN1
SCHEMBL30984341 0.70 NPC1 (0.37) PKMKDM4ENPSR1NPC1MEN1
SCHEMBL12394453 0.67 ALDH1A1 (0.40) PKMKDM4ENPSR1NPC1MEN1

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
EP-2272351-B1 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and amidosulfuron BAYER CROPSCIENCE AG (DE) 2012-07-18 EP disclosed
US-20120077677-A1 Use of 4-phenylbutyric acid and/or salts thereof for enhancing stress tolerance in plants BAYER CROPSCIENCE AG (DE) 2012-03-29 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-20120077677-A1 Use of 4-phenylbutyric acid and/or salts thereof for enhancing stress tolerance in plants PAH, ABAT, HPD PKM 367/4885KDM4E 1082/4885NPSR1 3225/4885

“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.