SCHEMBL13560934

SCHEMBL13560934

CC(CC=CC(O)(c1ccccc1)c1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
CHRM2 P08172 6/20 0.36
CHRM1 P11229 6/20 0.36
CYP2D6 P10635 5/20 0.36
KCNH2 Q12809 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CHRM3 P20309 4/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
HRH1 P35367 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL13576494 0.72 KDM4E (0.61) KDM4ECHRM2CHRM1CYP2D6KCNH2
SCHEMBL15527506 0.71 KDM4E (0.35) KDM4ECHRM2CHRM1CYP2D6KCNH2
SCHEMBL2995569 0.70 TAAR1 (0.40) CHRM2CHRM1CYP2D6KCNH2CYP3A4
SCHEMBL22679092 0.68 KDM4E (0.65) KDM4ECYP2D6ALDH1A1TSHRSIGMAR1
SCHEMBL11850027 0.68 KDM4E (0.63) KDM4ECYP2D6ALDH1A1CHRM3TSHR
SCHEMBL11850022 0.68 KDM4E (0.63) KDM4ECYP2D6ALDH1A1CHRM3TSHR
SCHEMBL6899688 0.66 IDO1 (0.42) KDM4ECHRM2CHRM1CYP2D6KCNH2
SCHEMBL6898544 0.66 IDO1 (0.42) KDM4ECHRM2CHRM1CYP2D6KCNH2
SCHEMBL6898546 0.66 IDO1 (0.42) KDM4ECHRM2CHRM1CYP2D6KCNH2
SCHEMBL21061210 0.66 HTT (0.43) ALDH1A1CYP3A4TSHRTDP1MAPT

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-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2012-11-01 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-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES SCARB1, MSR1, HAVCR2 KDM4E 4698/4885CHRM2 4540/4885CHRM1 4192/4885

“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.