SCHEMBL1225504

SCHEMBL1225504

CCc1cc(C)cc(OC)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ACHE P22303 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PRKDC P78527 1/20 0.39
TSHR P16473 3/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL415683 0.84 ERN1 (0.57) ERN1ALDH1A1SMN1; SMN2ACHELMNA
SCHEMBL25798799 0.84 LMNA (0.46) ERN1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL1225897 0.82 ERN1 (0.39) ERN1ALDH1A1LMNAKDM4EHPGD
SCHEMBL1225577 0.79 ERN1 (0.52) ERN1ALDH1A1SMN1; SMN2ACHELMNA
SCHEMBL1225993 0.76 KMT2A (0.41) ERN1ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL25798772 0.76 MAPT (0.45) ALDH1A1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL12581614 0.76 DRD2 (0.36)
SCHEMBL12581710 0.76 PRKDC (0.53) ERN1ALDH1A1SMN1; SMN2ACHELMNA
SCHEMBL5358719 0.76 ERN1 (0.68) ERN1ALDH1A1SMN1; SMN2ACHELMNA
SCHEMBL22090609 0.75 ERN1 (0.45) ERN1ALDH1A1SMN1; SMN2ACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334175-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE 1,3 DIONE DERIVATIVES BAYER IP GMBH (DE) 2017-03-01 EP disclosed
US-8367873-B2 Phenyl-substituted bicyclooctane-1,3-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-02-05 US disclosed
EP-2334175-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-22 EP disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
WO-2010040460-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-15 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-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives DDT, PIP5K1B, PIP5K1C ERN1 2591/4885ALDH1A1 2618/4885SMN1; SMN2 4217/4885

“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.