SCHEMBL10196174

SCHEMBL10196174

CCc1ccc(Oc2ccc(Cl)c(F)c2)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.35
SLC6A4 P31645 3/20 0.35
KCNH2 Q12809 3/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATF4 P18848 5/20 0.33
HIF1A Q16665 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
CHRNA3 P32297 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
ACACB O00763 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
SCHEMBL10196179 0.92 SLC6A4 (0.35) HTR2ASLC6A4KCNH2HIF1ACTSD
SCHEMBL19070826 0.88 ACACB (0.39) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19070661 0.88 MAOA (0.34) HTR2ASLC6A4KCNH2ALDH1A1KMT2A
SCHEMBL10196000 0.88 MAOA (0.34) HTR2ASLC6A4KCNH2ALDH1A1KMT2A
SCHEMBL10196175 0.88 LTB4R (0.33) MAPTKMT2A
SCHEMBL19071195 0.87 HTR2A (0.36) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL10196148 0.87 HTR2A (0.36) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL18873992 0.87 ACACB (0.40) ACACBACACA
SCHEMBL6727521 0.87 ACACB (0.40) ACACBACACA
SCHEMBL10196176 0.86 MCHR1 (0.32) CHRNA3

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
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
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
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTR2A 1320/4885SLC6A4 1443/4885KCNH2 1805/4885

“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.