SCHEMBL6300172

SCHEMBL6300172

COc1ccc2c(c1)C(O)(c1cccc(Cl)c1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
KDM1A O60341 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39
DRD1 P21728 2/20 0.39
DRD2 P14416 1/20 0.39
CYP3A4 P08684 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL6643609 0.78 CYP3A4 (0.52) SIGMAR1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL7168539 0.78 CYP3A4 (0.44) SIGMAR1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL1513248 0.75 SLC6A2 (0.42) SIGMAR1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL1513240 0.74 SLC6A2 (0.44) SIGMAR1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL4984411 0.73 POLA1 (0.51) SIGMAR1KDM1ACYP3A4
SCHEMBL29587519 0.73 POLA1 (0.51) SIGMAR1KDM1ACYP3A4
SCHEMBL8865370 0.73 OPRM1 (0.49) SIGMAR1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL7321561 0.72 SIGMAR1 (0.51) SIGMAR1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL1143677 0.72 CYP3A4 (0.46) SIGMAR1KDM1ACYP3A4OPRM1OPRD1
SCHEMBL9252967 0.71 KDM1A (0.50) SIGMAR1KDM1ASLC6A2SLC6A4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 SIGMAR1 4393/4885KDM1A 3120/4885SLC6A2 3586/4885

“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.