SCHEMBL862851

SCHEMBL862851

CC(=O)Oc1ccc(C)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.65
LMNA P02545 2/20 0.59
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
NPC1 O15118 1/20 0.54
KDM4E B2RXH2 3/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
CYP3A4 P08684 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL28534465 0.87 TDP1 (0.58) ACHELMNAKMT2AL3MBTL1TDP1
SCHEMBL5582943 0.85 ACHE (0.58) ACHELMNAKMT2ATDP1KDM4E
SCHEMBL3826570 0.84 L3MBTL1 (0.56) ACHEKMT2AL3MBTL1TDP1NPC1
SCHEMBL12337793 0.84 L3MBTL1 (0.56) ACHEKMT2AL3MBTL1TDP1NPC1
SCHEMBL10534545 0.83 L3MBTL1 (0.51) ACHELMNAKMT2AL3MBTL1TDP1
SCHEMBL2541390 0.83 KDM4E (0.58) ACHELMNAKMT2ATDP1NPC1
SCHEMBL1513505 0.83 ACHE (0.56) ACHELMNAKMT2ATDP1NPC1
SCHEMBL29535063 0.83 KDM4E (0.58) ACHELMNAKMT2ATDP1NPC1
SCHEMBL12121608 0.83 KDM4E (0.68) ACHELMNAKMT2ATDP1KDM4E
SCHEMBL418274 0.83 ACHE (0.56) ACHELMNAKMT2ATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146176-A GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-06-07 CN disclosed
EP-4100385-A1 REARRANGEMENT OF DIMETHYLPHENYLACYLATES USING ZEOLITES DSM IP Assets B.V. (NL) 2022-12-14 EP disclosed
CN-115023413-A Rearrangement of dimethylphenyl acrylate using zeolite 帝斯曼知识产权资产管理有限公司 2022-09-06 CN disclosed
WO-2021156214-A1 REARRANGEMENT OF DIMETHYLPHENYLACYLATES USING ZEOLITES DSM IP ASSETS B.V. (NL) 2021-08-12 WO disclosed
CN-107488148-A A kind of hydrocinnamamide insecticides and preparation method thereof 安徽省黄淮兽药有限公司 2017-12-19 CN disclosed
US-9448244-B2 Compound, and method for measuring iron concentration by using novel compound as chelate color former WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-09-20 US disclosed
US-20150260734-A1 NOVEL COMPOUND, AND METHOD FOR MEASURING IRON CONCENTRATION BY USING NOVEL COMPOUND AS CHELATE COLOR FORMER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-17 US disclosed
US-8618139-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-12-31 US disclosed
CN-103338765-A Novel phenyl oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN INC 2013-10-02 CN disclosed
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
US-6667335-B2 NMDA (N-methyl-D-aspartate)-receptor subtype selective blockers HOFFMANN-LA ROCHE INC. 2003-12-23 US disclosed
EP-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease EVOTEC INTERNATIONAL GMBH (DE) 2003-10-09 US disclosed
US-20030187268-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-10-02 US disclosed
US-20030166980-A1 Process for the nitration of xylene isomers using zeolite beta catalyst COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-09-04 US disclosed
US-6610723-B2 Such as 3-(3,4-dimethyl-phenyl)-5-(2-methyl-imidazol-1-yl-methyl)-pyridine having affinity to N-methyl-D-aspartate-receptor subtype selective blockers; central nervous system; learning, memory, neurodegeneration HOFFMANN-LA ROCHE INC. 2003-08-26 US disclosed
EP-1323705-A1 A process for the nitration of xylene isomers using zeolite beta catalyst Council of Scientific and Industrial Research (IN) 2003-07-02 EP disclosed
US-20020151715-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2002-10-17 US disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 WO disclosed
US-4013451-A 2-(SUBSTITUTED PHENOXY)PROPIONIC ACID PHILAGRO S.A. (FR) 1977-03-22 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 (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-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease GRIN1, GRIN2B, GRIN3B ACHE 267/4885LMNA 4216/4885KMT2A 377/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A ACHE 554/4885LMNA 4581/4885KMT2A 428/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A ACHE 554/4885LMNA 4581/4885KMT2A 428/4885

“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.