SCHEMBL21452585

SCHEMBL21452585

N#Cc1cccc(C2CCCCC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
DRD3 P35462 8/20 0.49
ABCC9 O60706 2/20 0.48
ABCC8 Q09428 2/20 0.48
KCNJ11 Q14654 2/20 0.48
KCNJ8 Q15842 2/20 0.48
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL27219407 0.98 DRD2 (0.48) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL5071326 0.81 CYP19A1 (0.43)
SCHEMBL21452010 0.77 CYP11B2 (0.50) KMT2AMCOLN3
SCHEMBL11060295 0.76 CYP19A1 (0.44) DRD2DRD3NPSR1KMT2ASIRT2
SCHEMBL28408881 0.76 HDAC4 (0.42)
SCHEMBL28412030 0.76 POLB (0.47) DRD2DRD3TSHRKMT2ASIRT2
SCHEMBL26220380 0.76 KDM4E (0.47) TSHRKMT2A
SCHEMBL1138365 0.76 KDM4E (0.47) TSHRKMT2A
SCHEMBL5556432 0.76 LMNA (0.46) TSHRNPSR1
SCHEMBL6435720 0.76 CYP19A1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2024-05-16 US disclosed
WO-2022235875-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SαAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-11-10 WO disclosed
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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 (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-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME AHR, CBR3, AADAC DRD2 2061/4885DRD3 1842/4885ABCC9 3553/4885
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT DRD2 2133/4885DRD3 2327/4885ABCC9 2097/4885

“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.