SCHEMBL5312894

SCHEMBL5312894

CNC(CC(Oc1ccc(OC)cc1)C1CCCCCC1)OC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 1/20 0.35
MMP13 P45452 1/20 0.35
KLK7 P49862 2/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MAPT P10636 1/20 0.34
EPHX1 P07099 1/20 0.34
HPGD P15428 2/20 0.33
SLC13A5 Q86YT5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4190 0.88 SLC13A5 (0.40) SMN1; SMN2ALDH1A1RAB9AEPHX1HPGD
Citric Acid SCHEMBL3868 0.82 MMP1 (0.40) EPHX2SMN1; SMN2ALDH1A1MMP1MMP2
SCHEMBL3501 0.72 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AMAPTHPGD
Citric Acid SCHEMBL4189 0.70 SLC13A5 (0.43) RAB9AEPHX1HPGDSLC13A5
SCHEMBL5310477 0.67 SLC13A5 (0.33) SMN1; SMN2ALDH1A1MAPTSLC13A5CYP1A2
SCHEMBL3274 0.67 CETP (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AEPHX1
SCHEMBL5173877 0.64 PPARA (0.42) MAPTSLC13A5CYP1A2CYP2D6
SCHEMBL28678373 0.64 CA1 (0.46) SMN1; SMN2ALDH1A1MAPTHPGDSLC13A5
Citric Acid SCHEMBL28710933 0.63 CA1 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL29022827 0.63 LDHA (0.43) SLC13A5

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931346-B2 Serotonin-norepinephrine reuptake inhibitors (SNRIs) and Sigma receptor ligands combinations LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-04-03 US disclosed
US-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-10-27 US disclosed
EP-3082782-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 EP disclosed
WO-2015091508-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-06-25 WO disclosed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2005079284-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2005-09-01 WO disclosed
EP-0654264-B1 Use of venlafaxine or of an aryloxy propanamine compound for the manufacture of a medicament for the treatment of urinary incontinence LILLY CO ELI (US) 2001-05-30 EP disclosed
US-5744474-A ADMINISTERING VENLAFAXINE OR DULOXETINE; TREATING STRESS, URGE AND/OR NOCTURNAL URINARY INCONTINENCE ELI LILLY AND COMPANY (US) 1998-04-28 US disclosed
EP-0654264-A1 Treatment of incontinence with venlafaxine or an aryloxy propanamine compound ELI LILLY AND COMPANY (US) 1995-05-24 EP disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 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 (4 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-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS SIGMAR1, OPRL1, SLC6A2 EPHX2 2348/4885SMN1; SMN2 577/4885ALDH1A1 490/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 EPHX2 923/4885SMN1; SMN2 4731/4885ALDH1A1 590/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 EPHX2 3282/4885SMN1; SMN2 3389/4885ALDH1A1 1623/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 EPHX2 923/4885SMN1; SMN2 4731/4885ALDH1A1 590/4885

“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.