SCHEMBL447253

SCHEMBL447253

CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2C1=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 4/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MAP4K4 O95819 2/20 0.31
PDE5A O76074 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31

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
SCHEMBL452406 0.84 TAAR1 (0.36) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL452407 0.84 TAAR1 (0.36) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL452188 0.83 TDP2 (0.35) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL452189 0.83 TDP2 (0.35) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL447609 0.82 TAAR1 (0.31) TAAR1
SCHEMBL449377 0.81 TAAR1 (0.34) SMN1; SMN2MEN1KMT2AALDH1A1HDAC1
SCHEMBL449376 0.81 TAAR1 (0.34) SMN1; SMN2MEN1KMT2AALDH1A1HDAC1
SCHEMBL1317191 0.79 HTR2C (0.33) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL447027 0.76 MAPT (0.31) MAPT
SCHEMBL447028 0.76 MAPT (0.31) MAPT

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-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SMN1; SMN2 2952/4885NPSR1 1600/4885LMNA 4657/4885

“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.