SCHEMBL4994103

SCHEMBL4994103

CCOC(=O)c1cccn(-c2ccc(-c3ccccc3)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
MAPT P10636 3/20 0.49
GABRA2 P47869 3/20 0.48
GABRB2 P47870 3/20 0.48
ALDH1A1 P00352 5/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 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
SCHEMBL30388175 0.85 GABRA2 (0.50) TSHRMAPTGABRA2GABRB2ALDH1A1
SCHEMBL7735518 0.84 ALDH1A1 (0.56) TSHRMAPTGABRA2GABRB2ALDH1A1
SCHEMBL4433936 0.80 CDC25B (0.50) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL31456637 0.78 NPC1 (0.54) TSHRMAPTALDH1A1KDM4EHPGD
SCHEMBL1136978 0.76 ALDH1A1 (0.60) TSHRMAPTGABRA2ALDH1A1KDM4E
SCHEMBL27686802 0.74 TSHR (0.65) TSHRMAPTALDH1A1KDM4EHPGD
SCHEMBL679127 0.73 MAPT (0.61) TSHRMAPTGABRA2GABRB2ALDH1A1
SCHEMBL4787448 0.73 MAPT (0.54) TSHRMAPTGABRA2GABRB2ALDH1A1
SCHEMBL30854470 0.73 TSHR (0.58) TSHRMAPTALDH1A1KDM4EHPGD
Diethyl Phthalate SCHEMBL19252611 0.73 TSHR (0.95) TSHRALDH1A1KDM4EHSD17B10CA12

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-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 TSHR 294/4885MAPT 4654/4885GABRA2 529/4885

“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.