SCHEMBL23917459

SCHEMBL23917459

c1cc2c(cc1C1CCOCC1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
EPHX2 P34913 2/20 0.38
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
HPGD P15428 1/20 0.37
HTR1D P28221 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SLC6A9 P48067 2/20 0.34
MCHR1 Q99705 1/20 0.34
MGLL Q99685 1/20 0.34
SGPL1 O95470 1/20 0.34
S1PR1 P21453 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 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
SCHEMBL9746450 0.82 EPHX2 (0.49) EPHX2HTR1DMCHR1ADRA2AADRA2B
SCHEMBL31290248 0.82 ALDH1A1 (0.41) EPHX2HPGDSMN1; SMN2MGLL
SCHEMBL22682056 0.80 KDM4C (0.47) KDM4CHPGDHTR1DKCNH2HRH3
SCHEMBL10879536 0.79 EPHX2 (0.49) EPHX2HPGDHTR1DSMN1; SMN2
SCHEMBL21994787 0.78 KDM4C (0.38) KDM4CEPHX2CPT2CPT1AHTR1D
SCHEMBL5584964 0.78 QDPR (0.53) HRH3
SCHEMBL22683370 0.77 KDM4C (0.47) KDM4CHPGDHTR1DKCNH2HRH3
SCHEMBL1095482 0.76 DDB1 (0.45) EPHX2HTR1DHSD11B1SLC6A9
SCHEMBL23917278 0.76 QDPR (0.57) KCNH2HRH3MCHR1
Hydrochloric Acid SCHEMBL3882894 0.75 DDB1 (0.44) EPHX2HTR1DHSD11B1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 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 (1 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB KDM4C 1936/4885EPHX2 1576/4885CPT2 3601/4885

“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.