SCHEMBL3434867

SCHEMBL3434867

Cc1cc(Cl)ccc1OC[C]=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SCN4A P35499 2/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL11031302 0.82 MEN1 (0.48) KDM4ECYP1A2CYP2C9HIF1ATP53
SCHEMBL5255078 0.81 L3MBTL1 (0.45) KDM4ETP53ALDH1A1LMNASMN1; SMN2
SCHEMBL2641277 0.81 TDP1 (0.56) SMN1; SMN2HPGDTSHRGAAHTT
SCHEMBL6686754 0.81 KDM4E (0.57) KDM4ECYP1A2CYP2C9HIF1ATP53
SCHEMBL11704067 0.79 FFAR4 (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5541035 0.79 MRGPRX4 (0.47) HPGDTSHRMRGPRX4KCNH2
SCHEMBL27565960 0.79 NPC1 (0.48) KDM4ECYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL11331289 0.78 ALDH1A1 (0.45) KDM4ECYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL8405377 0.78 LMNA (0.50) KDM4ECYP1A2CYP2C9HIF1ATP53
SCHEMBL22135588 0.77 KDM4E (0.64) KDM4ECYP1A2CYP2C9HIF1ATP53

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745269-A Phenyl isoxazoline compound and application thereof 沈阳中化农药化工研发有限公司 2021-05-04 CN claimed
WO-2024129931-A1 ALPHA-V BETA-6(ανβ6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
CN-112745269-B Phenyl isoxazoline compound and application thereof 沈阳中化农药化工研发有限公司 2023-01-24 CN disclosed
CN-114206831-A Conjugates of auxin analogs 以色列国家农业部、农村发展农业研究组织·沃尔卡尼中心 2022-03-18 CN disclosed
EP-3956294-A1 CONJUGATES OF AUXIN ANALOGS The State of Israel, Ministry of Agriculture and Rural Development, Agricultural Research Organization (ARO) (Volcani Center) (IL) 2022-02-23 EP disclosed
US-20220030866-A1 CONJUGATES OF AUXIN ANALOGS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (IL) 2022-02-03 US disclosed
CN-112745269-A Phenyl isoxazoline compound and application thereof 沈阳中化农药化工研发有限公司 2021-05-04 CN disclosed
WO-2020212993-A1 CONJUGATES OF AUXIN ANALOGS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-10-22 WO disclosed
CN-105753853-B Isoxazoline-containing uracil compound and application thereof 沈阳中化农药化工研发有限公司 2020-08-04 CN disclosed
CN-106536517-B Isoxazoline-containing uracil compound and application thereof 沈阳中化农药化工研发有限公司 2020-03-17 CN disclosed
US-10550111-B2 Pyrimidine urea compound containing isoxazolines and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-02-04 US disclosed
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP disclosed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed
US-4349488-A Process for producing esters of 3,5-dibromo-4-hydroxybenzonitrile GREAT LAKES CHEMICAL CORPORATION (US) 1982-09-14 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 (2 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-10550111-B2 Pyrimidine urea compound containing isoxazolines and use thereof DDX6, OAT, DHX36 KDM4E 1077/4885CYP1A2 230/4885CYP2C9 461/4885
US-20220030866-A1 CONJUGATES OF AUXIN ANALOGS CROCC, CCNY, AGXT KDM4E 3338/4885CYP1A2 858/4885CYP2C9 1886/4885

“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.