SCHEMBL3697682

SCHEMBL3697682

CC[C@@H](C)[CH]C(=O)NCCCCn1cnnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 4/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL3702828 0.96 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL3699349 0.91 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL3704586 0.88 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL3707214 0.84 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL3699908 0.79 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL3707215 0.72 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL3701011 0.71 ZDHHC20 (0.43) MAPTMAPK1ZDHHC20ZDHHC2
SCHEMBL16589338 0.71 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL3699041 0.71 PTGS1 (0.39) ALDH1A1KMT2AMEN1MAPTZDHHC20
SCHEMBL19755642 0.70 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1TP53MAPT

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-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 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 (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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885KMT2A 4477/4885MEN1 4290/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885KMT2A 4477/4885MEN1 4290/4885

“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.