SCHEMBL163910

SCHEMBL163910

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.43
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38

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
Hydrochloric Acid SCHEMBL5859992 0.98 ALDH1A1 (0.50) ALDH1A1NPSR1PKML3MBTL1KMT2A
SCHEMBL163027 0.92 NPSR1 (0.53) ALDH1A1NPSR1PKMKMT2AGLA
SCHEMBL12104078 0.91 ALDH1A1 (0.48) ALDH1A1NPSR1PKML3MBTL1KMT2A
SCHEMBL5859987 0.85 NPSR1 (0.47) ALDH1A1NPSR1L3MBTL1KMT2AGLA
SCHEMBL5859999 0.85 NPSR1 (0.47) ALDH1A1NPSR1KMT2AGLATHRB
SCHEMBL5082232 0.85 ALDH1A1 (0.39) ALDH1A1NPSR1PKML3MBTL1KMT2A
SCHEMBL5084537 0.85 ALDH1A1 (0.39) ALDH1A1NPSR1PKML3MBTL1KMT2A
SCHEMBL164232 0.84 L3MBTL1 (0.58) ALDH1A1NPSR1PKML3MBTL1KMT2A
SCHEMBL13589980 0.84 L3MBTL1 (0.58) ALDH1A1NPSR1PKML3MBTL1KMT2A
SCHEMBL14493665 0.84 L3MBTL1 (0.58) ALDH1A1NPSR1PKML3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014119698-A1 PATTERN FORMING METHOD, COMPOUND USED THEREIN, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, MANUFACTURING METHOD OF ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2014-08-07 WO disclosed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
US-7115768-B2 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed
US-7078562-B2 Adamantane derivatives and resin compositions using the same as raw material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-18 US disclosed
US-20060074110-A1 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2006-04-06 US disclosed
US-20050158662-A1 Adamantane derivatives and resin compositions using the same as raw material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-07-21 US disclosed
EP-1144364-B1 MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2005-07-13 EP disclosed
US-20030134874-A1 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 GRANT FRANCINE S (US) 2003-07-17 US disclosed
US-6468487-B1 SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-22 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-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 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-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed
EP-0897747-A1 NITRATION OR CARBOXYLATION CATALYSTS Daicel Chemical Industries, Ltd. (JP) 1999-02-24 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 ALDH1A1 369/4885NPSR1 2950/4885PKM 2066/4885
US-20030134874-A1 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ALDH1A1 258/4885NPSR1 1381/4885PKM 3133/4885
US-20060074110-A1 Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ALDH1A1 258/4885NPSR1 1381/4885PKM 3133/4885

“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.