SCHEMBL10187599

SCHEMBL10187599

Cc1cc(Oc2ccc(F)cc2F)cc(C)c1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.36
MAPK14 Q16539 4/20 0.35
KLKB1 P03952 1/20 0.35
HSPB1 P04792 1/20 0.33
BTK Q06187 2/20 0.31
PTGS2 P35354 1/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
AR P10275 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
SCHEMBL10187604 0.92 BACE1 (0.32) BTK
SCHEMBL10187597 0.91 L3MBTL1 (0.34) BTK
SCHEMBL13261982 0.90
SCHEMBL10187528 0.90 PTGS2 (0.32) PTGS2
SCHEMBL10187600 0.90 HTR2C (0.38) PTGS2
SCHEMBL10187612 0.87 MMP13 (0.33)
SCHEMBL16281713 0.87 TTK (0.34) BTK
SCHEMBL10187603 0.87 TTK (0.34) BTK
SCHEMBL10187609 0.82 KDM4E (0.33)
SCHEMBL10187605 0.82 LDHA (0.38) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BRD4 2341/4885MAPK14 2378/4885KLKB1 4854/4885

“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.