SCHEMBL1729274

SCHEMBL1729274

COCOc1ccccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 4/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MAPT P10636 3/20 0.46
NISCH Q9Y2I1 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 3/20 0.44
NAMPT P43490 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL2046907 0.84 HTT (0.49) CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1
SCHEMBL8136300 0.82 ALDH1A1 (0.58) CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1
SCHEMBL2317520 0.82 RXRA (0.46) RXRARXRBRXRGRBP4
SCHEMBL28642120 0.81 RXRA (0.49) CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1
SCHEMBL30741241 0.80 CA12 (0.48) CYP1A2ALDH1A1KDM4EGAAMAPT
SCHEMBL30741239 0.80 CA12 (0.48) CYP1A2ALDH1A1KDM4EGAAMAPT
SCHEMBL3185351 0.80 CA12 (0.48) CYP1A2ALDH1A1KDM4EGAAMAPT
SCHEMBL6763906 0.79 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1
SCHEMBL2044035 0.79 MAPT (0.38) CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1
SCHEMBL19639466 0.79 HTT (0.45) CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380520-A1 STRONG BINDING METAL-CHELATING RESINS USING MACROCYCLE MOLECULES SACHEM, INC. 2022-12-01 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20110213110-A1 NOVEL METAL COMPLEX AND METHOD FOR PRODUCING ALPHA-OLEFIN POLYMER AND METHOD FOR PRODUCING ALPHA-OLEFIN/(METH)ACRYLATE COPOLYMER USING THE SAME JAPAN POLYPROPYLENE CORPORATION (JP) 2011-09-01 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
WO-2006030199-A1 POLYMERISATION CATALYSTS INEOS EUROPE LIMITED (GB) 2006-03-23 WO disclosed
WO-2006030192-A1 POLYOLEFINS INEOS EUROPE LIMITED (GB) 2006-03-23 WO disclosed
CN-1243735-C 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-03-01 CN disclosed
CN-1733725-A Process for preparing 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-02-15 CN disclosed
EP-1606294-A1 POLYMERISATION CATALYSTS Innovene Europe Limited (GB) 2005-12-21 EP disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
WO-2004083221-A1 POLYMERISATION CATALYSTS INNOVENE EUROPE LIMITED (GB) 2004-09-30 WO disclosed
CN-1503784-A 2-iminopyrrolidine derivatives ������������ʽ���� 2004-06-09 CN disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 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 (8 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 CYP1A2 14/4885CYP2D6 63/4885CYP2C19 38/4885
US-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 CYP1A2 137/4885CYP2D6 138/4885CYP2C19 347/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 CYP1A2 2917/4885CYP2D6 2096/4885CYP2C19 3142/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 CYP1A2 136/4885CYP2D6 135/4885CYP2C19 346/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CYP1A2 6/4885CYP2D6 45/4885CYP2C19 28/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CYP1A2 6/4885CYP2D6 45/4885CYP2C19 28/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 CYP1A2 14/4885CYP2D6 63/4885CYP2C19 38/4885
US-20110213110-A1 NOVEL METAL COMPLEX AND METHOD FOR PRODUCING ALPHA-OLEFIN POLYMER AND METHOD FOR PRODUCING ALPHA-OLEFIN/(METH)ACRYLATE COPOLYMER USING THE SAME OPRD1, OSTC, COG7 CYP1A2 1498/4885CYP2D6 943/4885CYP2C19 1779/4885

“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.