SCHEMBL9610872

SCHEMBL9610872

Cc1ccc([C@@H]2CCCc3c2[nH]c2ccc(C)cc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.62
RECQL P46063 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.61
GAA P10253 1/20 0.57
CASP6 P55212 1/20 0.57
PRMT5 O14744 2/20 0.53
HTR2A P28223 7/20 0.51
HTR2C P28335 7/20 0.51
CDKN1A P38936 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
PTGES O14684 1/20 0.48
KIF11 P52732 1/20 0.46
HTR2B P41595 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8404339 0.90 SIRT1 (0.55) SIRT1RECQLSIRT2GAACASP6
SCHEMBL25784905 0.89 HTR2A (0.66) SIRT1SIRT2HTR2AHTR2CLMNA
SCHEMBL15101410 0.82 SIRT1 (0.65) SIRT1RECQLSIRT2GAACASP6
SCHEMBL12325749 0.81 SIRT1 (0.67) SIRT1RECQLSIRT2GAACASP6
SCHEMBL4027054 0.81 SIRT1 (0.66) SIRT1RECQLSIRT2GAACASP6
SCHEMBL18648563 0.81 BRD3 (0.52) SIRT1SIRT2LMNA
SCHEMBL16941536 0.79 GAA (0.65) SIRT1RECQLSIRT2GAACASP6
SCHEMBL28372988 0.78 SIRT1 (0.63) SIRT1RECQLSIRT2GAACASP6
SCHEMBL3676864 0.78 SIRT1 (0.62) SIRT1RECQLSIRT2GAACASP6
SCHEMBL1872225 0.77 SIRT1 (1.00) SIRT1RECQLSIRT2GAACASP6

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-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. 2012-05-31 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-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B SIRT1 1531/4885RECQL 1357/4885SIRT2 988/4885

“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.