SCHEMBL1741840

SCHEMBL1741840

CC(C)(C)c1cccnc1-c1ncccc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
TSHR P16473 1/20 0.41
PLCG1 P19174 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
CES1 P23141 1/20 0.39
PAX8 Q06710 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
GAA P10253 1/20 0.39
TRPV1 Q8NER1 3/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL30189537 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4ECA2TDP1
SCHEMBL16132341 0.85 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4ETDP1TSHR
SCHEMBL21596184 0.84 TRPV1 (0.36) ALDH1A1KMT2AKDM4ECA2TDP1
SCHEMBL30189502 0.84 PLAU (0.40) ALDH1A1KMT2AKDM4ECA2TDP1
SCHEMBL364453 0.83 KDM4E (0.48) ALDH1A1KMT2AKDM4ETDP1TSHR
SCHEMBL29583655 0.83 KDM4E (0.48) ALDH1A1KMT2AKDM4ETDP1TSHR
SCHEMBL25428853 0.80 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ECA2TDP1
SCHEMBL16132299 0.80 CYP2A6 (0.61) ALDH1A1KDM4ECYP2A6LMNAHTT
SCHEMBL16132361 0.80 KDM4E (0.46) ALDH1A1KMT2AKDM4ETRPV1
SCHEMBL30578381 0.79 PTPRC (0.46) ALDH1A1KMT2AKDM4ECA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947646-B Method for hydroxylation of aryl or heteroaryl halides by photocatalysis 浙江工业大学 2024-07-23 CN claimed
CN-118325184-A Environment-friendly high-flame-retardance sponge and preparation method thereof 伟建实业(苏州)有限公司 2024-07-12 CN claimed
CN-118063466-A 5-Cyano pyrazolo [1,5-a ] pyrimidine compound and synthetic method thereof 皖西学院 2024-05-24 CN claimed
CN-111433211-B Synthesis of halichondrin 哈佛大学的校长及成员们 2024-05-07 CN claimed
CN-117964579-A Method for preparing epoxypropane and co-producing carboxylic acid by propylene epoxidation 中山大学 2024-05-03 CN claimed
CN-117756843-A Preparation method of alkyl germanium based on olefin difunctional 南京信息工程大学 2024-03-26 CN claimed
CN-117645581-A Method for synthesizing series of functional groups of photocatalytic inert C (sp 3) -H bond 浙江工业大学台州研究院 2024-03-05 CN claimed
CN-117623925-A Method for deoxidizing and converting photocatalytic alcohol 同济大学 2024-03-01 CN claimed
US-11905287-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL (GB) 2024-02-20 US claimed
CN-115572240-B Mechanical force synthesis method for constructing C-C bond by three-component reduction cross coupling 西安交通大学 2024-01-26 CN claimed
CN-111018708-A Synthesis method of difluoroalkyl substituted aromatic ketone compound under photocatalysis 浙江工业大学 2020-04-17 CN claimed
CN-110983368-A Synthesis method of nickel-catalyzed C-3 alkyl substituted quinoxalinone under electrochemical condition 北京工业大学 2020-04-10 CN claimed
CN-110845291-A Method for catalytic reduction of alkyne into olefin by visible light induction 江西科技师范大学 2020-02-28 CN claimed
CN-110803972-A Synthesis method of difluoroalkyl substituted aromatic aldehyde compound under photocatalysis 浙江工业大学 2020-02-18 CN claimed
US-10544098-B2 Method for synthesizing bipyridine compound and method for manufacturing pyridine compound KOBELCO ECO-SOLUTIONS CO., LTD. (JP) 2020-01-28 US claimed
CN-110724033-A Method for preparing alcohol by Suzuki reaction without exogenous base 滁州学院 2020-01-24 CN claimed
CN-110088106-A Compound 布里斯托大学 2019-08-02 CN claimed
EP-3500572-A2 CYTISINE DERIVATIVES FOR THE TREATMENT OF ADDICTION The University Of Bristol (GB) 2019-06-26 EP claimed
US-20180282278-A1 METHOD FOR SYNTHESIZING BIPYRIDINE COMPOUND AND METHOD FOR MANUFACTURING PYRIDINE COMPOUND KOBELCO ECO-SOLUTIONS CO., LTD. (JP) 2018-10-04 US claimed
WO-2018033742-A2 COMPOUNDS THE UNIVERSITY OF BRISTOL (GB) 2018-02-22 WO claimed

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-10544098-B2 Method for synthesizing bipyridine compound and method for manufacturing pyridine compound TBCD, QDPR, BRD2 ALDH1A1 2295/4885KMT2A 1711/4885KDM4E 1353/4885
US-11905287-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A ALDH1A1 1941/4885KMT2A 976/4885KDM4E 1310/4885
US-20180282278-A1 METHOD FOR SYNTHESIZING BIPYRIDINE COMPOUND AND METHOD FOR MANUFACTURING PYRIDINE COMPOUND TBCD, QDPR, BRD2 ALDH1A1 2295/4885KMT2A 1711/4885KDM4E 1353/4885

“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.