SCHEMBL5880503

SCHEMBL5880503

Clc1ccc(Oc2ccc[c]c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.44
SLC6A4 P31645 6/20 0.44
HTT P42858 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
RHEB Q15382 2/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9685460 0.86 DPP4 (0.44) SLC6A4HTTSLC6A2SLC6A3ALDH1A1
SCHEMBL919270 0.81 MAPT (0.43) HTR2ASLC6A4HTTSLC6A2SLC6A3
SCHEMBL8700819 0.81 HTR2A (0.45) HTR2ASLC6A4HTTSLC6A2SLC6A3
SCHEMBL10469324 0.79 GAA (0.45) HTR2ASLC6A4HTTSLC6A2SLC6A3
SCHEMBL15732451 0.77 CYP1A2 (0.42) HTR2ASLC6A4HTTSLC6A2SLC6A3
SCHEMBL8123557 0.75 PDE7A (0.43) HTR2ASLC6A4HTTSLC6A2SLC6A3
SCHEMBL8126361 0.74 LMNA (0.47) HTTMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7017882 0.72 CYP1A2 (0.41) HTR2ASLC6A4HTTSLC6A2SLC6A3
SCHEMBL315016 0.71
SCHEMBL9321769 0.71 HTR2A (0.53) HTR2ASLC6A4HTTSLC6A2SLC6A3

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-6989351-B2 Metabolic inhibitors against brassinosteroids RIKEN (JP) 2006-01-24 US disclosed
US-20040259735-A1 Metabolic inhibitors against brassinosteroids RIKEN (JP) 2004-12-23 US disclosed
EP-1304038-A1 METABOLIC INHIBITORS AGAINST BRASSINOSTEROIDS RIKEN (JP) 2003-04-23 EP 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-20040259735-A1 Metabolic inhibitors against brassinosteroids DBI, HSD17B4, ABHD5 HTR2A 4154/4885SLC6A4 3338/4885HTT 4462/4885

“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.