SCHEMBL37414

SCHEMBL37414

Cc1cc(Cl)cc(C)c1CC(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ABCB1 P08183 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TPMT P51580 1/20 0.33

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
SCHEMBL918915 0.90 P2RX7 (0.43) P2RX7KDM4EABCB1
SCHEMBL37165 0.84 KDM4E (0.40) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL31236753 0.83 P2RX7 (0.35) P2RX7KDM4ETP53ALOX15ALDH1A1
SCHEMBL31236754 0.83 P2RX7 (0.35) P2RX7KDM4ETP53ALOX15ALDH1A1
SCHEMBL6394892 0.83 AKR1B1 (0.47) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL812155 0.81 SHMT1 (0.39) KDM4EALDH1A1MEN1KMT2A
SCHEMBL3420493 0.81 ALDH1A1 (0.37) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL21049510 0.81 HTT (0.42) ALDH1A1MEN1KMT2A
SCHEMBL13527344 0.78 ALDH1A1 (0.54) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL6841350 0.78 TSHR (0.45) KDM4EALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494109-B1 PROCESS FOR THE PREPARATION OF SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2024-10-23 EP disclosed
EP-3774761-B1 METHOD FOR THE PREPARATION OF CYCLOHEXANAMINO ACID ESTERS AND SPIROKETAL SUBSTITUTED CYCLIC KETOENOLS BAYER AG (DE) 2024-09-11 EP disclosed
US-20240294539-A1 PROCESS FOR PREPARING SUBSTITUTED CYCLOHEXANE AMINO ACID ESTERS AND SPIROKETAL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER AKTIENGESELLSCHAFT (DE) 2024-09-05 US disclosed
US-12006327-B2 Process for preparing substituted cyclohexane amino acid esters and spiroketal-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2024-06-11 US disclosed
CN-112041310-B Method for producing N-acylated amino acid esters comprising ketone protecting groups with acid-instability 拜耳公司 2023-11-03 CN disclosed
CN-109563066-B Process for preparing spiroketal-substituted cyclic ketoenols 拜耳作物科学股份公司 2023-08-29 CN disclosed
US-20220267291-A1 PROCESS FOR PREPARING ESTERS OF N-ACYLATED AMINO ACIDS WITH ACID-LABILE KETO PROTECTIVE GROUP FUNCTIONS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-25 US disclosed
US-11384061-B2 Process for preparing esters of N-acylated amino acids with acid-labile keto protective group functions BAYER AKTIENGESELLSCHAFT (DE) 2022-07-12 US disclosed
US-11384061-B2 Process for preparing esters of N-acylated amino acids with acid-labile keto protective group functions BAYER AKTIENGESELLSCHAFT (DE) 2022-07-12 US disclosed
US-11220511-B2 Process for preparing spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-01-11 US disclosed
WO-2011151249-A2 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2011151247-A2 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2011151248-A1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
US-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-15 US disclosed
EP-2352376-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES Syngenta Participations AG (CH) 2011-08-10 EP disclosed
US-20110190493-A1 Spiroketal-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-04 US disclosed
US-7897543-B2 Spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-03-01 US disclosed
US-20100279873-A1 Halogen Alkoxy Spirocyclic Tetramic and Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-04 US disclosed
WO-2010063670-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-10 WO disclosed
US-20080305955-A1 Spiroketal-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2008-12-11 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 (9 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-11220511-B2 Process for preparing spiroketal-substituted cyclic ketoenols AKR1C2, AKR1C4, AKR1C3 P2RX7 2343/4885KDM4E 344/4885TP53 4693/4885
US-20110190493-A1 Spiroketal-Substituted Cyclic Ketoenols AKR1D1, PDHX, KHK P2RX7 1094/4885KDM4E 476/4885TP53 3378/4885
US-20100279873-A1 Halogen Alkoxy Spirocyclic Tetramic and Tetronic Acid Derivatives KCNA5, KCNH1, KCNQ5 P2RX7 939/4885KDM4E 3536/4885TP53 1867/4885
US-11384061-B2 Process for preparing esters of N-acylated amino acids with acid-labile keto protective group functions AADAT, DNPEP, BCKDK P2RX7 4878/4885KDM4E 873/4885TP53 3853/4885
US-20240294539-A1 PROCESS FOR PREPARING SUBSTITUTED CYCLOHEXANE AMINO ACID ESTERS AND SPIROKETAL-SUBSTITUTED CYCLIC KETO-ENOLS BCAT1, BCAT2, BCKDK P2RX7 4702/4885KDM4E 873/4885TP53 4164/4885
US-12006327-B2 Process for preparing substituted cyclohexane amino acid esters and spiroketal-substituted cyclic keto-enols BCAT1, BCAT2, BCKDK P2RX7 4702/4885KDM4E 873/4885TP53 4164/4885
US-20080305955-A1 Spiroketal-Substituted Cyclic Ketoenols AKR1D1, PDHX, KHK P2RX7 1094/4885KDM4E 476/4885TP53 3378/4885
US-20220267291-A1 PROCESS FOR PREPARING ESTERS OF N-ACYLATED AMINO ACIDS WITH ACID-LABILE KETO PROTECTIVE GROUP FUNCTIONS AADAT, DNPEP, BCKDK P2RX7 4878/4885KDM4E 873/4885TP53 3853/4885
US-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES DDT, ODC1, ACHE P2RX7 1996/4885KDM4E 2733/4885TP53 4863/4885

“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.