SCHEMBL23583

SCHEMBL23583

CCOc1cccc(OBOc2cccc(OCC)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NQO1 P15559 1/20 0.46
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 6/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44

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
1,3-Diethoxybenzene SCHEMBL1100167 0.87 TP53 (0.71) TP53CYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL14664958 0.84 TP53 (0.53) TP53CYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL2276430 0.84 KMT2A (0.53) TP53CYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL4834852 0.83 NQO1 (0.52) TP53CYP3A4MAPK1CYP1A2NQO1
SCHEMBL177359 0.82 TSHR (0.53) MAPK1CYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL9488001 0.80 TP53 (0.63) TP53CYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL138905 0.79 TP53 (0.37) TP53CYP3A4MAPK1ALDH1A1LMNA
SCHEMBL3095609 0.79 LTA4H (0.67) TP53MAPK1NQO1LTA4HALDH1A1
1-Methoxy-3-Ethoxybenzene SCHEMBL1068417 0.78 CYP3A4 (0.61) TP53CYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL23298 0.78 NQO1 (0.70) NQO1LTA4HALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025011547-A1 METHOD FOR OBTAINING ON-DNA AROMATIC COMPOUND VIA SUZUKI COUPLING REACTION AND USE THEREOF 晶泰智药技术(上海)有限公司 2025-01-16 WO disclosed
CN-117597345-A Heterocyclic derivatives as CaMKK2 inhibitors 百时美施贵宝公司 2024-02-23 CN disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
CN-116829524-A Method for alkylating acidic functional groups 中外制药株式会社 2023-09-29 CN disclosed
CN-116783160-A Libraries of compounds 中外制药株式会社 2023-09-19 CN disclosed
CN-115361948-A Methods and compositions for inhibiting dihydroorotate dehydrogenase 俄亥俄州国家创新基金会 2022-11-18 CN disclosed
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 EP disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 WO disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 US disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO 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 (6 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 TP53 1910/4885CYP3A4 4038/4885MAPK1 1/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TP53 667/4885CYP3A4 1369/4885MAPK1 16/4885
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 TP53 1650/4885CYP3A4 3393/4885MAPK1 2032/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TP53 3141/4885CYP3A4 1862/4885MAPK1 4329/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TP53 667/4885CYP3A4 1369/4885MAPK1 16/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R TP53 1475/4885CYP3A4 1935/4885MAPK1 52/4885

“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.