SCHEMBL3699690

SCHEMBL3699690

CC[C@@H](C)[CH]C(=S)Nc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
GAA P10253 4/20 0.57
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
LMNA P02545 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
SCHEMBL3667174 0.82 RAB9A (0.47) ALDH1A1MAPTGAATDP1PKM
SCHEMBL3698398 0.82 TGM2 (0.62) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL8709382 0.72 HPGD (0.59) ALDH1A1MAPTGAATDP1KMT2A
SCHEMBL3667176 0.72 ALDH1A1 (0.56) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL18896432 0.71 KMT2A (0.66) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL8167087 0.70 CYP1A2 (0.85) ALDH1A1MAPTGAAKMT2AHPGD
SCHEMBL12125178 0.70 KMT2A (0.69) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL13754514 0.69 ALDH1A1 (0.69) ALDH1A1MAPTGAAKMT2AHPGD
SCHEMBL13753681 0.69 ALDH1A1 (0.71) ALDH1A1MAPTGAAKMT2AHPGD
SCHEMBL7306947 0.69 CYP1A2 (0.69) ALDH1A1MAPTGAATDP1KMT2A

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 1733/4885MAPT 3996/4885GAA 4227/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885MAPT 3996/4885GAA 4227/4885

“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.