SCHEMBL5860019

SCHEMBL5860019

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
PKM P14618 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
RBP4 P02753 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.36

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
SCHEMBL5356850 0.91 SMN1; SMN2 (0.50) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA
SCHEMBL13589980 0.89 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA
SCHEMBL14493665 0.89 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA
SCHEMBL164232 0.89 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4712253 0.87 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4712251 0.87 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1061966 0.87 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA
SCHEMBL5486305 0.87 L3MBTL1 (0.56) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA
Methacrylic Acid SCHEMBL29283555 0.84 ALDH1A1 (0.53) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA
SCHEMBL7457627 0.83 ALDH1A1 (0.42) ALDH1A1PKML3MBTL1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
US-7115768-B2 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20060074110-A1 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2006-04-06 US disclosed
CN-1231212-C Polycyclic compounds that inhibit VLA-4 mediated leukocyte adhesion ELAN PHARM INC (US) 2005-12-14 CN disclosed
EP-1144364-B1 MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2005-07-13 EP disclosed
EP-1445266-A2 Photoresist copolymer Daicel Chemical Industries, Ltd. (JP) 2004-08-11 EP disclosed
US-20030180662-A1 Acid-sensitive compound and resin composition for photoresist DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-25 US disclosed
US-20030134874-A1 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 GRANT FRANCINE S (US) 2003-07-17 US disclosed
US-6465513-B1 SUCH AS N-(ADAMANT-1-YLCARBONYL)-L-4-(N,N-DIMETHYLCARBAMYL-OXY)PHENYLALANINE; INFLAMMATORY DISEASES SUCH AS ASTHMA, AIDS DEMENTIA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. 2002-10-15 US disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
CN-1344247-A Polycyclic compounds that inhibit VLA-4 mediated leukocyte adhesion ELAN PHARM INC (US) 2002-04-10 CN disclosed
US-20020016516-A1 Hydrocarbon bonded to a carbon atom which is bonded to a hydroxyl group, a methane group, and an adamantane ring; or its protected derivatives; alcohol intermediates for acrylic ester monomers for hydrophilic, adhesive photoresists DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-07 US disclosed
US-6344590-B1 HYDROCARBON BONDED TO A CARBON ATOM WHICH IS BONDED TO A HYDROXYL GROUP, A METHANE GROUP, AND AN ADAMANTANE RING; OR ITS PROTECTED DERIVATIVES; ALCOHOL INTERMEDIATES FOR ACRYLIC ESTER MONOMERS FOR HYDROPHILIC, ADHESIVE PHOTORESISTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-05 US disclosed
EP-1144364-A2 MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043354-A2 MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
EP-1000924-A1 ACID-SENSITIVE COMPOUND AND RESIN COMPOSITION FOR PHOTORESIST Daichel Chemical Industries Ltd (JP) 2000-05-17 EP disclosed
EP-0990632-A1 ADAMANTANEMETHANOL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 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 (3 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-20030134874-A1 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ALDH1A1 258/4885PKM 3133/4885L3MBTL1 678/4885
US-20020016516-A1 Hydrocarbon bonded to a carbon atom which is bonded to a hydroxyl group, a methane group, and an adamantane ring; or its protected derivatives; alcohol intermediates for acrylic ester monomers for hydrophilic, adhesive photoresists ADH1A, ADGRF1, ADGRE5 ALDH1A1 47/4885PKM 4544/4885L3MBTL1 1820/4885
US-20060074110-A1 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ALDH1A1 258/4885PKM 3133/4885L3MBTL1 678/4885

“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.