SCHEMBL6301031

SCHEMBL6301031

C[C@](Oc1ccc2c(c1CSc1ccc3ccccc3c1)CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6301044 0.93 LTB4R (0.34) KDM4EALDH1A1TSHRNPSR1L3MBTL1
SCHEMBL6299856 0.91 LTB4R (0.32) ALDH1A1LTB4RLTB4R2GABRG2GABRB3
SCHEMBL6302037 0.91 LTB4R (0.33) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6301217 0.91 OPRK1 (0.34) TSHRLTB4RLTB4R2GABRG2GABRB3
SCHEMBL6301014 0.91 LTB4R (0.32) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6307578 0.91 LTB4R (0.34) TSHRLTB4RLTB4R2GABRG2GABRB3
SCHEMBL6307490 0.91 LTB4R (0.34) TSHRLTB4RLTB4R2GABRG2GABRB3
SCHEMBL6306424 0.90 LTB4R (0.33) KDM4EALDH1A1TSHRNPSR1L3MBTL1
SCHEMBL6302061 0.90 BRD4 (0.33) ALDH1A1LTB4RLTB4R2GABRG2GABRB3
SCHEMBL6299942 0.89 L3MBTL1 (0.33) KDM4EALDH1A1TSHRNPSR1L3MBTL1

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-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 KDM4E 2646/4885ALDH1A1 578/4885TSHR 1329/4885

“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.