SCHEMBL13201443

SCHEMBL13201443

CC(=O)OCc1cc(C)c2oc3ccccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TTR P02766 1/20 0.46
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
KMT2A Q03164 2/20 0.40
PTGER4 P35408 1/20 0.40

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
SCHEMBL13218240 0.86 AHR (0.48) ALDH1A1TTRGABRPGABRDGABRA1
SCHEMBL13218237 0.86 ALDH1A1 (0.45) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL13218230 0.81 ALDH1A1 (0.51) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL13201446 0.79 TTR (0.47) ALDH1A1TTRKDM4EAHRNPC1
SCHEMBL2963956 0.78 ALDH1A1 (0.51) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL12799786 0.70 TTR (0.49) ALDH1A1TTRKMT2AMAOBKDM4E
SCHEMBL14329542 0.70 NPC1 (0.52) ALDH1A1KMT2AKDM4ELMNAHPGD
SCHEMBL19350586 0.70 TTR (0.60) ALDH1A1TTRKMT2AKDM4ELMNA
SCHEMBL26781740 0.69 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4ELMNAHSD17B10
SCHEMBL13057612 0.68 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHSD17B10IDH1

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-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 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-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885TTR 592/4885GABRP 494/4885

“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.