SCHEMBL430200

SCHEMBL430200

CCc1ccc(-c2ccc(Cl)s2)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC3 O15379 3/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 1/20 0.33
TNIK Q9UKE5 1/20 0.32
PGR P06401 2/20 0.32
CNR2 P34972 1/20 0.32
F2R P25116 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30
KLKB1 P03952 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
SCHEMBL432705 0.96 HDAC2 (0.35) HDAC2HDAC1HDAC3HSD17B1HSD17B2
SCHEMBL432746 0.86 ALDH1A1 (0.31)
SCHEMBL6727324 0.85 HDAC2 (0.36) HDAC2HDAC1HDAC3HSD17B1HSD17B2
SCHEMBL18873868 0.85 HDAC2 (0.36) HDAC2HDAC1HDAC3HSD17B1HSD17B2
SCHEMBL431036 0.84 ACACB (0.35) HSD17B1
SCHEMBL18971813 0.83 CNR2 (0.34) HDAC2HDAC1HDAC3HSD17B1HSD17B2
SCHEMBL12116062 0.83 CNR2 (0.34) HDAC2HDAC1HDAC3HSD17B1HSD17B2
SCHEMBL13065688 0.83 S1PR1 (0.33) PGR
SCHEMBL431335 0.83 S1PR1 (0.33) PGR
SCHEMBL430173 0.81 ALDH1A1 (0.32)

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
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US 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 HDAC2 2125/4885HDAC1 1406/4885HDAC3 946/4885

“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.