SCHEMBL515563

SCHEMBL515563

CCc1cc(Br)ccc1C(O)c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN7 P35236 1/20 0.37
BLM P54132 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AGTR1 P30556 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL407452 0.88 KMT2A (0.38) KMT2AOPRM1OPRD1POLBPKM
SCHEMBL16398303 0.77 KMT2A (0.36) KMT2AOPRM1OPRD1POLBPKM
SCHEMBL20299216 0.77 KMT2A (0.41) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL27733207 0.73 SMN1; SMN2 (0.36) KMT2APOLBL3MBTL1ALDH1A1MAPT
SCHEMBL432518 0.70 KMT2A (0.36) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL19796214 0.70 SMN1; SMN2 (0.41) POLBL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL27692709 0.69 SMN1; SMN2 (0.37) KMT2APOLBL3MBTL1ALDH1A1KDM4E
SCHEMBL8168074 0.68 ACE2 (0.40) KMT2APOLBL3MBTL1ALDH1A1KDM4E
SCHEMBL1679346 0.67 AKR1C3 (0.41) ALDH1A1KDM4ETDP1NPSR1
SCHEMBL5929446 0.67 NPSR1 (0.38) KMT2AL3MBTL1MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
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-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
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
EP-2393769-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089210-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 WO disclosed
WO-2010089210-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KMT2A 674/4885OPRM1 1636/4885OPRD1 1630/4885

“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.