SCHEMBL787731

SCHEMBL787731

CCC(C)OP(=O)(O)CCN

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABBR2 O75899 4/20 0.36
GABBR1 Q9UBS5 4/20 0.36
LAP3 P28838 1/20 0.35
GABRR1 P24046 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
METAP1 P53582 1/20 0.34
LMNA P02545 2/20 0.33
BLM P54132 2/20 0.33
PPARD Q03181 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32

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
Oxalic Acid SCHEMBL1376933 0.93 PLA2G2C (0.35) ALDH1A1CYP1A2MEN1KMT2AGABBR2
SCHEMBL864318 0.89 CYP1A2 (0.47) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL9203703 0.87 CYP1A2 (0.42) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL17782328 0.85 PLA2G2C (0.43) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL5841650 0.85 PLA2G2C (0.43) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL9203527 0.84 ANPEP (0.40) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL2118428 0.83 LAP3 (0.38) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL3090613 0.83 METAP1 (0.36) LAP3PLA2G2CMETAP1PPARD
Oxalic Acid SCHEMBL5022544 0.83 CYP1A2 (0.39) CYP1A2MEN1KMT2AGABBR2GABBR1
Hydrochloric Acid SCHEMBL13269112 0.82 LAP3 (0.37) CYP1A2MEN1KMT2AGABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4356496-A None JP disclosed
US-20230242689-A1 POLYMER, COPOLYMER, INK, INK CONTAINER, IMAGE FORMING METHOD, IMAGE FORMING DEVICE, AND BACKSHEET FOR SOLAR CELL RICOH COMPANY, LTD. (JP) 2023-08-03 US disclosed
EP-3197885-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2020-11-18 EP disclosed
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 US disclosed
US-9926298-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-03-27 US disclosed
US-20180009786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-01-11 US disclosed
US-9862703-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-01-09 US disclosed
US-9861557-B2 Dental materials on the basis of urea group-containing monomers IVOCLAR VIVADENT AG (LI) 2018-01-09 US disclosed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
EP-1437999-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GmbH (DE) 2004-07-21 EP disclosed
WO-2003035013-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2003-05-01 WO disclosed
EP-0496561-B1 [[(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives AMERICAN HOME PROD (US) 1995-03-15 EP disclosed
US-5240946-A Anticonvulsants, nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-31 US disclosed
JP-H04356496-A PHOSPHONIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME TAKEDA CHEM IND LTD 1992-12-10 JP disclosed
US-5168103-A Neuroprotectants, anticonvulsants AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-01 US disclosed
EP-0496561-A2 [[(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-29 EP disclosed
US-4151229-A Process for the manufacture of aminoalkyl-phosponic acid esters CIBA-GEIGY CORPORATION (US) 1979-04-24 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-20180009786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, MCL1 ALDH1A1 66/4885CYP1A2 715/4885MEN1 2196/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ALDH1A1 4545/4885CYP1A2 3567/4885MEN1 1019/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 ALDH1A1 4545/4885CYP1A2 3567/4885MEN1 1019/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ALDH1A1 3931/4885CYP1A2 4004/4885MEN1 2507/4885

“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.