SCHEMBL6092094

SCHEMBL6092094

O=C(C=Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
P2RX7 Q99572 1/20 0.49
TNFRSF1A P19438 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.43
GABBR2 O75899 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42

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
SCHEMBL8876584 1.00 HSD11B1 (0.51) HSD11B1P2RX7TNFRSF1AALDH1A1HTT
SCHEMBL18317450 0.84 ALDH1A1 (0.45) P2RX7ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL18325433 0.84 ALDH1A1 (0.45) P2RX7ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL6090902 0.84 CYP1A2 (0.51) P2RX7ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL12040547 0.84 GABBR2 (0.53) P2RX7TNFRSF1AALDH1A1HTTSMN1; SMN2
SCHEMBL6091145 0.84 GABBR2 (0.53) P2RX7TNFRSF1AALDH1A1HTTSMN1; SMN2
SCHEMBL6090681 0.82 RARB (0.51) P2RX7ALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL6092331 0.81 JUN (0.51) HSD11B1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8068014 0.81 JUN (0.51) HSD11B1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL6093071 0.81 LMNA (0.47) ALDH1A1HTTSMN1; SMN2NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US disclosed
US-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 US disclosed
EP-0444533-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1991-09-04 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 HSD11B1 78/4885P2RX7 373/4885TNFRSF1A 4570/4885

“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.