SCHEMBL829491

SCHEMBL829491

CC(=O)c1ccc2c3c1CCCC3CCC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL830519 0.95 ALDH1A1 (0.38) ALDH1A1HPGDGAAMAPTALOX15
SCHEMBL22043068 0.71 SLC16A3 (0.46) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL1766019 0.70
SCHEMBL830557 0.70 ALDH1A1 (0.41) ALDH1A1HPGDGAAMAPTALOX15
SCHEMBL6157995 0.70 CRBN (0.36) ALDH1A1
SCHEMBL4906016 0.69 ALDH1A1 (0.47) ALDH1A1HPGDGAAMAPTALOX15
SCHEMBL7208190 0.69 ALDH1A1 (0.47) ALDH1A1HPGDGAAMAPTALOX15
SCHEMBL829031 0.69 ALDH1A1 (0.43) ALDH1A1MAPTTDP1
SCHEMBL6156840 0.69 DDB1 (0.35) ALDH1A1HPGDGAAMAPTALOX15
SCHEMBL3396949 0.67 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
EP-2189440-A1 TRICYCLIC AMINE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189443-A1 TRICYCLIC AMIDE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP 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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG ALDH1A1 761/4885HPGD 883/4885GAA 2361/4885
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 ALDH1A1 727/4885HPGD 1261/4885GAA 3608/4885

“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.