SCHEMBL431243

SCHEMBL431243

CCc1ccc(Br)cc1C1=C(O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL10196008 1.00 EDNRB (0.33) EDNRBEDNRAALDH1A1SMN1; SMN2NPC1
SCHEMBL10196019 0.93 L3MBTL1 (0.36) EDNRBEDNRASMN1; SMN2TSHRL3MBTL1
SCHEMBL19070679 0.93 L3MBTL1 (0.36) EDNRBEDNRASMN1; SMN2TSHRL3MBTL1
SCHEMBL431060 0.93 L3MBTL1 (0.36) EDNRBEDNRASMN1; SMN2TSHRL3MBTL1
SCHEMBL19071226 0.90 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2TSHRL3MBTL1MEN1
SCHEMBL16256597 0.83 GAA (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10196014 0.82 ALDH1A1 (0.33) EDNRBEDNRAALDH1A1SMN1; SMN2TSHR
SCHEMBL432171 0.82 ALDH1A1 (0.33) EDNRBEDNRAALDH1A1SMN1; SMN2TSHR
SCHEMBL432544 0.82 EDNRB (0.37) EDNRBEDNRAALDH1A1SMN1; SMN2TSHR
SCHEMBL19070946 0.82 EDNRB (0.37) EDNRBEDNRAALDH1A1SMN1; SMN2TSHR

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 EDNRB 4122/4885EDNRA 4159/4885ALDH1A1 14/4885

“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.