SCHEMBL10196254

SCHEMBL10196254

CCc1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1C1=C(O)C2C(C1=O)[C@H]1CC[C@@H]2CC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
VCAM1 P19320 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL19070606 0.92
SCHEMBL10196308 0.88 MAPT (0.31) ALDH1A1TDP1GAAHPGDMAPT
SCHEMBL10195567 0.86 ALDH1A1 (0.32) ALDH1A1TDP1GAAHPGDMAPT
SCHEMBL16257076 0.85 HTR2A (0.35) TDP1LMNA
SCHEMBL10196134 0.84 MAOA (0.36) ALDH1A1HPGDTSHRMAPK1MEN1
SCHEMBL19071632 0.84 MAOA (0.36) ALDH1A1HPGDTSHRMAPK1MEN1
SCHEMBL19070710 0.83
SCHEMBL19070597 0.83
SCHEMBL19071195 0.82 HTR2A (0.36) ALDH1A1TDP1HPGDMAPTKMT2A
SCHEMBL10196148 0.82 HTR2A (0.36) ALDH1A1TDP1HPGDMAPTKMT2A

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
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885TDP1 1576/4885GAA 478/4885

“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.