SCHEMBL5052034

SCHEMBL5052034

[NH]C(=O)OCc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
IDO1 P14902 2/20 0.52
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 6/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
MAOB P27338 2/20 0.49
PARP15 Q460N3 1/20 0.49
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL1790733 0.84 ALDH1A1 (0.58) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28702044 0.84 ALDH1A1 (0.58) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL1790735 0.82 ALDH1A1 (0.56) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL30211075 0.81 ALDH1A1 (0.64) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL7816660 0.81 ALDH1A1 (0.55) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL5766366 0.81 ALDH1A1 (0.64) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL3231685 0.81 ALDH1A1 (0.59) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28702045 0.79 ALDH1A1 (0.53) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL19765221 0.79 ALDH1A1 (0.54) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL2577721 0.79 ALDH1A1 (0.50) ALDH1A1MMP1MMP2MMP9MMP12

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-20080280965-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) KLAUS PAULINI, ET AL. 2008-11-13 US disclosed
US-7375127-B2 Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) AE ZENTARIS GMBH (DE) 2008-05-20 US disclosed
US-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2006-01-19 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-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) GPR88, GPR34, GPR35 ALDH1A1 3119/4885MMP1 3011/4885MMP2 2616/4885
US-20080280965-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) GPR35, GPR88, GPBAR1 ALDH1A1 3429/4885MMP1 2931/4885MMP2 3054/4885

“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.