SCHEMBL22173459

SCHEMBL22173459

Clc1ccc(-c2cccc(C3(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.47
CYP1A2 P05177 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CNR1 P21554 3/20 0.38
SLC6A3 Q01959 1/20 0.38
MAP4K4 O95819 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL34464613 0.98 PDK2 (0.48) PDK2CYP1A2MEN1KMT2AKDM4E
SCHEMBL22173211 0.98 PDK2 (0.48) PDK2CYP1A2MEN1KMT2AKDM4E
SCHEMBL30716820 0.98 MEN1 (0.46) PDK2CYP1A2MEN1KMT2AKDM4E
SCHEMBL22173460 0.97 PDK2 (0.49) PDK2CYP1A2MEN1KMT2AKDM4E
SCHEMBL22151245 0.94 PDK2 (0.51) PDK2CYP1A2MEN1KMT2AKDM4E
SCHEMBL19735695 0.93 PDK2 (0.44) PDK2CYP1A2MEN1KMT2AKDM4E
SCHEMBL22151044 0.91 MEN1 (0.49) PDK2CYP1A2MEN1KMT2AKDM4E
SCHEMBL17805156 0.91 MEN1 (0.53) PDK2CYP1A2MEN1KMT2AKDM4E
SCHEMBL22150996 0.90 SLC6A3 (0.41) PDK2CYP1A2MEN1KMT2AKDM4E
SCHEMBL25815261 0.90 PDK2 (0.46) PDK2CYP1A2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO LTD (KR) 2023-05-04 US disclosed
US-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO LTD (KR) 2023-05-04 US disclosed
US-11542252-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-01-03 US disclosed
US-20200207739-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 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 (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-11542252-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 PDK2 1727/4885CYP1A2 64/4885MEN1 195/4885
US-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 PDK2 1727/4885CYP1A2 64/4885MEN1 195/4885
US-20200207739-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 PDK2 1727/4885CYP1A2 64/4885MEN1 195/4885

“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.