SCHEMBL829776

SCHEMBL829776

CCC(C(=O)O)=C1CCCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HPGD P15428 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 1/20 0.38
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL15520897 0.97 CYP2A6 (0.43) L3MBTL1MTNR1AMTNR1BHPGDCYP2A6
SCHEMBL15520895 0.97 CYP2A6 (0.43) L3MBTL1MTNR1AMTNR1BHPGDCYP2A6
SCHEMBL22096928 0.82 LMNA (0.49) L3MBTL1CYP2A6MAOAMAOBALDH1A1
SCHEMBL11120372 0.79 MTNR1A (0.46) L3MBTL1MTNR1AMTNR1BHPGDALDH1A1
SCHEMBL5785923 0.78 MAOB (0.50) HPGDMAOAMAOBALDH1A1LMNA
SCHEMBL5785926 0.78 MAOB (0.50) HPGDMAOAMAOBALDH1A1LMNA
SCHEMBL5787405 0.75 KDM4E (0.45) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL5787402 0.75 KDM4E (0.45) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL2286745 0.75 NQO2 (0.46) L3MBTL1MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL2286741 0.75 NQO2 (0.46) L3MBTL1MTNR1AMTNR1BALDH1A1MAPT

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-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

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 L3MBTL1 4033/4885MTNR1A 40/4885MTNR1B 34/4885
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 L3MBTL1 3865/4885MTNR1A 29/4885MTNR1B 22/4885

“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.