SCHEMBL4028622

SCHEMBL4028622

O=C(O)C(C(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
EPHX2 P34913 4/20 0.39
EPHX1 P07099 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL31416875 0.87 ALDH1A1 (0.47) ALDH1A1NPC1ALOX15SLC22A2SLC47A1
SCHEMBL6651615 0.87 ALDH1A1 (0.39) ALDH1A1NPC1ALOX15SLC22A2SLC47A1
SCHEMBL15535315 0.79 ALDH1A1 (0.47) ALDH1A1NPC1CYP2C9EPHX2SMN1; SMN2
SCHEMBL3292905 0.78 ALDH1A1 (0.42) ALDH1A1NPC1ALOX15SLC22A2SLC47A1
SCHEMBL31416858 0.78 CYP19A1 (0.40) ALDH1A1NPC1EPHX2SMN1; SMN2ITGB1
SCHEMBL23460047 0.76 DPP4 (0.49) ALDH1A1NPC1ALOX15SLC22A2SLC47A1
SCHEMBL3805389 0.76 ALDH1A1 (0.41) ALDH1A1NPC1ALOX15SLC22A2SLC47A1
SCHEMBL255570 0.76 DPP4 (0.49) ALDH1A1NPC1ALOX15SLC22A2SLC47A1
SCHEMBL1089252 0.76 ALDH1A1 (0.50) ALDH1A1NPC1ALOX15SLC22A2SLC47A1
SCHEMBL3805395 0.76 ALDH1A1 (0.41) ALDH1A1NPC1ALOX15SLC22A2SLC47A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306107-A1 METAL HOMEOSTASIS RESTORATION AGENT Oxford Antibiotic Group GmbH (AT) 2024-01-17 EP claimed
US-20230312807-A1 SPANDEX FIBER WITH REVERSIBLE TRIPLE-SHAPE MEMORY EFFECT AND PREPARATION METHOD THEREOF WUYI UNIVERSITY (CN) 2023-10-05 US disclosed
WO-2022156149-A1 SPANDEX FIBER HAVING REVERSIBLE THREE-SHAPE MEMORY EFFECT, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 五邑大学 2022-07-28 WO disclosed
CN-112663168-B Spandex fiber with reversible shape memory effect and preparation method and application thereof 五邑大学 2022-07-19 CN disclosed
CN-112962165-B Spandex fiber with reversible three-shape memory effect and preparation method and application thereof 五邑大学 2022-07-05 CN disclosed
CN-112962165-A Spandex fiber with reversible three-shape memory effect and preparation method and application thereof 五邑大学 2021-06-15 CN disclosed
CN-112663168-A Spandex fiber with reversible shape memory effect and preparation method and application thereof 五邑大学 2021-04-16 CN disclosed
CN-105802196-B A kind of high molecular material and preparation method thereof with double process shape-memory effect 中山大学 2018-08-07 CN disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20060276439-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. (US) 2006-12-07 US disclosed
US-20050038029-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. (US) 2005-02-17 US disclosed
US-6790864-B2 NONSTEROIDAL ANTIINFLAMMATORY DRUGS WHICH HAVE BEEN SUBSTITUTED WITH A NITROGEN MONOXIDE GROUP; COMPOSITIONS COMPRISING (I) A NONSTEROIDAL ANTIINFLAMMATORY DRUG, WHICH CAN OPTIONALLY BE SUBSTITUTED WITH A NITROGEN MONOXIDE GROUP NITROMED, INC. 2004-09-14 US disclosed
US-20030109520-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NICOX S.A. (FR) 2003-06-12 US disclosed
US-6482846-B1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. 2002-11-19 US disclosed
US-6323234-B1 TRANSFER OR RELEASE NITRIC OXIDE OR IS A SUBSTRATE FOR NITRIC OXIDE SYNTHASE WITH CARRIERS NITROMED, INC. 2001-11-27 US disclosed
US-6048858-A HETERORING CONTAINING A SULFONAMIDE GROUP NITROMED, INC. (US) 2000-04-11 US disclosed
US-6043233-A COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE, OR IS A SUBSTRATE FOR NITRIC OXIDE SYNTHASE. NITROMED, INC. (US) 2000-03-28 US disclosed
US-5703073-A Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. (US) 1997-12-30 US disclosed
US-4536594-A Process for the preparation of beta-disubstituted monocarboxylic acids ELF FRANCE (FR) 1985-08-20 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 (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-20050038029-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NOS2, NOS3, MB ALDH1A1 1342/4885NPC1 1750/4885ALOX15 82/4885
US-20030109520-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NOS2, NOS3, MB ALDH1A1 1342/4885NPC1 1750/4885ALOX15 82/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 ALDH1A1 2335/4885NPC1 4596/4885ALOX15 1960/4885
US-20060276439-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NOS2, NOS3, MB ALDH1A1 1342/4885NPC1 1750/4885ALOX15 82/4885

“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.