SCHEMBL3974783

SCHEMBL3974783

CC(C)(C)c1ccccc1COc1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.35
MAOA P21397 1/20 0.35
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NAMPT P43490 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL7024874 0.84 IDO1 (0.53) MAOBMAOAIDO1ALDH1A1KDM4E
SCHEMBL10839770 0.78 MAOB (0.44) MAOBALDH1A1ACHE
SCHEMBL28545913 0.78 PTPRC (0.37) MAOBKDM4ENISCHMAPT
SCHEMBL3767200 0.75 IDO1 (0.51) IDO1ALDH1A1GAAMAPT
SCHEMBL27822794 0.75 IDO1 (0.48) IDO1ALDH1A1KDM4ETSHRTP53
SCHEMBL2721265 0.75 IDO1 (0.48) MAOBMAOAIDO1GAATSHR
SCHEMBL11567089 0.75 IDO1 (0.48) IDO1KDM4ETSHRCYP2D6HSD17B10
SCHEMBL3326060 0.75 IDO1 (0.48) MAOBIDO1ALDH1A1KDM4EGAA
SCHEMBL12894330 0.74 MAOB (0.49) MAOBMAOAKDM4ERXRARXRB
SCHEMBL12894343 0.73 SCN8A (0.46) MAOBMAOAALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US claimed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US claimed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 MAOB 309/4885MAOA 356/4885IDO1 1289/4885

“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.