SCHEMBL3676744

SCHEMBL3676744

CC1=Cc2cccc(CCC3C(C)=Cc4ccccc43)c2C1

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
THPO P40225 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL3677282 0.88
SCHEMBL3683201 0.86 HTR2A (0.33) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL3684526 0.79 HTR6 (0.36)
SCHEMBL7105374 0.76 HTR2A (0.47) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL1453437 0.75 HTR2A (0.42) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL3683410 0.75 HTR2A (0.35) HTR2A
SCHEMBL5954199 0.75 HTR2A (0.36) KDM4ELMNACHRM2CYP3A4CYP2D6
SCHEMBL12319663 0.75 TAAR1 (0.46) DRD2HTR2AHRH1DRD3
SCHEMBL4005225 0.74 HTR2A (0.41) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL1320258 0.74 TAAR1 (0.42) KDM4ELMNACHRM2CHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569532-B2 Catalysts BOREALIS TECHNOLOGY OY (FI) 2013-10-29 US disclosed
US-20120252993-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2012-10-04 US disclosed
US-20100305286-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2010-12-02 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 (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-20120252993-A1 CATALYSTS CYP4F11, COXFA4, CYP2F1 KDM4E 4078/4885LMNA 3501/4885TP53 3485/4885
US-20100305286-A1 CATALYSTS H1-2, CCNL2, H1-3 KDM4E 2823/4885LMNA 1605/4885TP53 2353/4885

“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.