SCHEMBL3699455

SCHEMBL3699455

CC[C@@H](C)[CH]C(=O)Nc1ccc(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CXCR1 P25024 1/20 0.42
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL3670897 0.84 MEN1 (0.41) GAACXCR1NPC1POLBMAPT
SCHEMBL3713897 0.80 MAPT (0.49) GAAMAPTMMP1MMP2MMP9
SCHEMBL3670899 0.74 GAA (0.48) GAACXCR1NPC1POLBMAPT
SCHEMBL3665310 0.73 GAA (0.41) GAANPC1MAPTRAB9AALDH1A1
SCHEMBL3708294 0.72 MMP1 (0.47) GAAPOLBMAPTMMP1MMP2
SCHEMBL2896946 0.71 POLB (0.71) GAACXCR1NPC1POLBMAPT
SCHEMBL27795856 0.71 GAA (0.39) GAACXCR1NPC1POLBMAPT
SCHEMBL22200960 0.69 POLB (0.49) GAACXCR1NPC1POLBMAPT
SCHEMBL13804532 0.68 CXCR1 (0.58) GAACXCR1NPC1POLBMAPT
SCHEMBL12190070 0.68 MMP1 (0.47) GAACXCR1NPC1POLBMAPT

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 GAA 4227/4885CXCR1 410/4885NPC1 1510/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 GAA 4227/4885CXCR1 410/4885NPC1 1510/4885

“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.