SCHEMBL830557

SCHEMBL830557

CC(=O)c1ccc2c3c1CCCC3(C)CCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
DRD2 P14416 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTR7 P34969 2/20 0.33
PARP1 P09874 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL830055 0.70 NPC1 (0.39) ALDH1A1HPGDMAPTSMN1; SMN2RXRA
SCHEMBL829491 0.70 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL829495 0.69 KDM1A (0.44) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL31359858 0.69 BCL2L1 (0.52) ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3396949 0.69 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EL3MBTL1RXRA
SCHEMBL29573534 0.69 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EL3MBTL1RXRA
SCHEMBL4570298 0.69 BCL2L1 (0.52) ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL17014335 0.69 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL830519 0.69 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL7208190 0.68 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGAAMAPT

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 5 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-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
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 (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-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 ALDH1A1 727/4885HPGD 1261/4885KDM4E 2435/4885

“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.