SCHEMBL432544

SCHEMBL432544

CCc1ccc(Br)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.37
EDNRA P25101 2/20 0.37
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPK1 P28482 2/20 0.32
P2RX7 Q99572 1/20 0.31
AR P10275 1/20 0.31
METAP1 P53582 1/20 0.31
PBRM1 Q86U86 1/20 0.31
TDP2 O95551 1/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 2/20 0.30
KDM4E B2RXH2 1/20 0.30
S100A4 P26447 1/20 0.30
CYP1A2 P05177 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
SCHEMBL19070946 1.00 EDNRB (0.37) EDNRBEDNRATSHRSMN1; SMN2LMNA
SCHEMBL10196030 1.00 EDNRB (0.37) EDNRBEDNRATSHRSMN1; SMN2LMNA
SCHEMBL432171 0.95 ALDH1A1 (0.33) EDNRBEDNRATSHRSMN1; SMN2LMNA
SCHEMBL10196014 0.95 ALDH1A1 (0.33) EDNRBEDNRATSHRSMN1; SMN2LMNA
SCHEMBL10196022 0.89 ANPEP (0.36) PBRM1
SCHEMBL19070623 0.89 ANPEP (0.36) PBRM1
SCHEMBL19070679 0.85 L3MBTL1 (0.36) EDNRBEDNRATSHRSMN1; SMN2LMNA
SCHEMBL10196019 0.85 L3MBTL1 (0.36) EDNRBEDNRATSHRSMN1; SMN2LMNA
SCHEMBL431060 0.85 L3MBTL1 (0.36) EDNRBEDNRATSHRSMN1; SMN2LMNA
SCHEMBL10196011 0.84 SLC6A2 (0.36) ALDH1A1MEN1KMT2A

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 2 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
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 4159/4885TSHR 1306/4885

“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.