SCHEMBL6781189

SCHEMBL6781189

C=C(C(=O)OCC)C1CCc2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
S1PR1 P21453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP2 O95551 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CAMK2A Q9UQM7 1/20 0.36
POLB P06746 1/20 0.35
PPARD Q03181 1/20 0.34
GPR35 Q9HC97 1/20 0.34
PIN1 Q13526 1/20 0.34
FPR2 P25090 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL7419740 0.82 PIN1 (0.51) MAPTALDH1A1PIN1
SCHEMBL6772814 0.80 CAMK2A (0.44) SRD5A1CAMK2APIN1
SCHEMBL23997446 0.74 SRD5A1 (0.44) SRD5A1MAPK1CAMK2APIN1FPR2
SCHEMBL1530291 0.74 SRD5A1 (0.44) SRD5A1MAPTALDH1A1CAMK2APIN1
SCHEMBL30436687 0.74 SRD5A1 (0.44) SRD5A1MAPTALDH1A1CAMK2APIN1
SCHEMBL29792352 0.73 TRPV1 (0.46) SRD5A1KMT2ALMNAS1PR1ALDH1A1
SCHEMBL7862458 0.73 CAMK2A (0.48) SRD5A1CAMK2APIN1
SCHEMBL1530402 0.73 CAMK2A (0.48) SRD5A1CAMK2APIN1
SCHEMBL22040771 0.73 CAMK2A (0.43) SRD5A1CAMK2A
SCHEMBL22039443 0.73 CAMK2A (0.43) SRD5A1CAMK2A

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-6716852-B2 FOR THERAPY OF ARTERIAL HYPERTENSION AND CARDIOVASCULAR DISEASES LES LABORATORIES SERVIER (FR) 2004-04-06 US disclosed
US-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors LES LABORATOIRES SERVIER (FR) 2003-03-20 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-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors MME, ACE, ECE1 SRD5A1 2030/4885MEN1 3195/4885KMT2A 1603/4885

“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.