SCHEMBL6301962

SCHEMBL6301962

C[C@](Oc1ccc2c(c1-c1cccc(Cl)c1)CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
CAMK2B Q13554 1/20 0.33
DYRK1A Q13627 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 3/20 0.32
PTGER1 P34995 2/20 0.32
CYP2C9 P11712 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL6300071 0.87 MAPKAPK2 (0.32) GABRG2GABRB3GABRA5MAPTBRD4
SCHEMBL6307281 0.85 GABRG2 (0.32) GABRG2GABRB3GABRA5BRD4
SCHEMBL6299627 0.85 BRD4 (0.39) KDM4ENPC1RAB9AHPGDMAPT
SCHEMBL6307252 0.84 GABRG2 (0.31) GABRG2GABRB3GABRA5BRD4
SCHEMBL6300122 0.84 MAOB (0.39) BRD4MAOAMAOBGRM5
SCHEMBL6301321 0.81 LTB4R (0.32) GABRG2GABRB3GABRA5BRD4ADRB2
SCHEMBL6299535 0.79 MAOA (0.36) BRD4CYP2C9MAOAMAOBADRB2
SCHEMBL6300176 0.79 BRD4 (0.36) KDM4EHPGDBRD4ALDH1A1ADRB2
SCHEMBL6700648 0.79 LTB4R (0.36) GABRG2GABRB3GABRA5BRD4ADRB2
SCHEMBL6300110 0.78 LTB4R (0.35) GABRG2GABRB3GABRA5KDM4EBRD4

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 CDK2 848/4885GSK3A 1441/4885GSK3B 1131/4885

“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.