SCHEMBL6301217

SCHEMBL6301217

C[C@](Oc1ccc2c(c1CSc1ccc(Cl)cc1)CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
AGTR1 P30556 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD1 P21728 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
ADRA1A P35348 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TBXA2R P21731 1/20 0.33
ACHE P22303 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
SCHEMBL6301044 0.94 LTB4R (0.34) HTR1ASLC6A4LTB4RLTB4R2GABRG2
SCHEMBL6302037 0.93 LTB4R (0.33) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6301014 0.92 LTB4R (0.32) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6307578 0.92 LTB4R (0.34) HTR1ASLC6A4LTB4RLTB4R2GABRG2
SCHEMBL6307490 0.92 LTB4R (0.34) HTR1ASLC6A4LTB4RLTB4R2GABRG2
SCHEMBL6306424 0.92 LTB4R (0.33) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6299856 0.91 LTB4R (0.32) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6301031 0.91 KDM4E (0.33) LTB4RLTB4R2LMNAGABRG2GABRB3
SCHEMBL6300888 0.89 SMN1; SMN2 (0.32) LTB4RLTB4R2
SCHEMBL6300322 0.89 LTB4R (0.34) LTB4RLTB4R2GABRG2GABRB3GABRA5

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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US claimed
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

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 OPRK1 3791/4885MEN1 3391/4885HSP90AA1 3089/4885

“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.