SCHEMBL6187747

SCHEMBL6187747

O=C(O)CC(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
ABCC4 O15439 1/20 0.70
GAA P10253 1/20 0.70
TSHR P16473 1/20 0.70
PTGS1 P23219 1/20 0.70
HTT P42858 1/20 0.70
MMP12 P39900 1/20 0.68
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
FFAR1 O14842 3/20 0.57
ALDH1A1 P00352 4/20 0.56
NR1H4 Q96RI1 1/20 0.54
HPGD P15428 2/20 0.53
RORC P51449 1/20 0.51
AKR1B1 P15121 1/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL3966085 0.87 AKR1B1 (0.65) LMNAABCC4GAATSHRPTGS1
SCHEMBL11879591 0.87 LMNA (0.75) LMNAABCC4GAATSHRPTGS1
SCHEMBL7410335 0.85 LMNA (0.72) LMNAABCC4GAATSHRPTGS1
Felbinac SCHEMBL26084 0.83 LMNA (1.00) LMNAABCC4GAATSHRPTGS1
SCHEMBL22570782 0.82 LMNA (0.68) LMNAABCC4GAATSHRPTGS1
SCHEMBL6801321 0.82 LMNA (0.56) LMNAABCC4GAATSHRPTGS1
SCHEMBL28999752 0.82 LMNA (0.67) LMNAABCC4GAATSHRPTGS1
Felbinac SCHEMBL384892 0.81 LMNA (0.95) LMNAABCC4GAATSHRPTGS1
Felbinac SCHEMBL8844919 0.81 LMNA (0.95) LMNAABCC4GAATSHRPTGS1
Felbinac SCHEMBL28286222 0.81 LMNA (0.95) LMNAABCC4GAATSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106977415-B Intermediate of shakubiqu and preparation method thereof 广东东阳光药业有限公司 2021-03-26 CN disclosed
WO-2017098430-A1 NEW PROCESS AND INTERMEDIATES NOVARTIS AG (CH) 2017-06-15 WO disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
EP-0979226-B1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMA (JP) 2005-11-09 EP disclosed
US-6100260-A ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-08 US disclosed
EP-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 EP disclosed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 WO disclosed
US-4537906-A Substituted phenylalkenoic acids and esters MERCK FROSST CANADA, INC. (CA) 1985-08-27 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-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 LMNA 2028/4885ABCC4 2959/4885GAA 1264/4885

“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.