SCHEMBL4589826

SCHEMBL4589826

COc1cc2ccc(CC(=O)O)cc2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.73
AKR1C3 P42330 1/20 0.73
AKR1C2 P52895 1/20 0.73
GAA P10253 4/20 0.68
TSHR P16473 2/20 0.63
NFKB1 P19838 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
ALDH1A1 P00352 1/20 0.63
CA5A P35218 1/20 0.59
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 2/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL11459045 0.91 PTGS1 (0.65) PTGS1AKR1C3AKR1C2GAATSHR
SCHEMBL11469671 0.89 PTGS1 (0.63) PTGS1AKR1C3AKR1C2GAATSHR
SCHEMBL11460823 0.89 PTGS1 (0.63) PTGS1AKR1C3AKR1C2GAATSHR
SCHEMBL11281357 0.85 PTGS1 (0.53) PTGS1AKR1C3AKR1C2GAATSHR
SCHEMBL31074330 0.85 PTGS1 (0.93) PTGS1AKR1C3AKR1C2GAATSHR
6-Methoxy-2-Naphthylacetic Acid SCHEMBL253759 0.84 AKR1C3 (1.00) PTGS1AKR1C3AKR1C2GAATSHR
SCHEMBL153055 0.84 GAA (0.74) PTGS1AKR1C3AKR1C2GAATSHR
SCHEMBL30049382 0.84 GAA (0.74) PTGS1AKR1C3AKR1C2GAATSHR
SCHEMBL11286529 0.83 PTGS1 (0.59) PTGS1AKR1C3AKR1C2GAATSHR
Methane SCHEMBL11413480 0.83 PTGS1 (0.90) PTGS1AKR1C3AKR1C2GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105111054-A Curcumin analogue with enlarged conjugated system and preparation method and application thereof UNIV LIAOCHENG 2015-12-02 CN claimed
CN-105111054-A Curcumin analogue with enlarged conjugated system and preparation method and application thereof UNIV LIAOCHENG 2015-12-02 CN disclosed
US-7320982-B2 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-β 1 SANOFI-AVENTIS (FR) 2008-01-22 US disclosed
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 SANOFI-AVENTIS (FR) 2004-08-12 US disclosed
US-6693118-B2 E.G., 1-(2-(6,7-METHYLENEDIOXYNAPHTH-2-YL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE AND 1-2-(4-CYCLOHEXENYLPHENYL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6 -TETRAHYDROPYRIDINE; apoptosis inhibition; treatment of graft rejection or of acute or chronic rheumatoid arthritis SANOFI-SYNTHELABO (FR) 2004-02-17 US disclosed
US-20020091143-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 SANOFI-AVENTIS (FR) 2002-07-11 US disclosed
US-6342505-B1 inhibiting apoptosis using xaliproden hydrochloride, or other tetrahydropyridine derivatives SANOFI-SYNTHELABO (FR) 2002-01-29 US disclosed
US-5618822-A N-substituted trifluoromethylphenyltetrahydropyridines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1997-04-08 US disclosed
US-5599941-A N-substituted trifluoromethylphenyltetrahydropyridines process for the preparation thereof intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1997-02-04 US disclosed
US-5596101-A N-substituted trifluoromethylphenyltetrahydropyridines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1997-01-21 US disclosed
US-5559238-A N-substituted trifluoromethylphenyltetrahydropyridenes process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1996-09-24 US disclosed
US-5462945-A N-substituted trifluoromethylphenyltetrahydropyridines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1995-10-31 US disclosed
US-5281606-A N-substituted trifluoromethylphenyltetrahydropyridines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1994-01-25 US disclosed
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 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 (2 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-20020091143-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 PTGS1 25/4885AKR1C3 2797/4885AKR1C2 3110/4885
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 PTGS1 26/4885AKR1C3 2995/4885AKR1C2 3124/4885

“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.