SCHEMBL4831489

SCHEMBL4831489

CC(C)(C)c1ccc(COc2[c]cc(Br)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
NR4A2 P43354 2/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
PTGER1 P34995 1/20 0.37
MAOB P27338 4/20 0.36
RXRG P48443 1/20 0.34
SCN9A Q15858 1/20 0.34
IDO1 P14902 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4834024 0.82 APP (0.45) APPNR4A2RXRARXRBRAB9A
SCHEMBL3609423 0.79 MAOB (0.46) RAB9AL3MBTL1MAOBSMN1; SMN2
SCHEMBL8781939 0.78 MRGPRX4 (0.43) APPNR4A2RXRARXRBRAB9A
SCHEMBL14112769 0.76 APP (0.70) APPNR4A2RXRARXRBRAB9A
SCHEMBL220659 0.71 NQO1 (0.36) RAB9AMAOBKMT2ASMN1; SMN2
SCHEMBL6932608 0.71 APP (0.43) APPRXRARXRBMAOBIDO1
SCHEMBL22275947 0.69 APP (0.82) APPNR4A2RXRARXRBRAB9A
SCHEMBL4829567 0.69 CYP1A2 (0.42) RAB9APTGER1NPC1SMN1; SMN2
SCHEMBL17046353 0.68 HPGD (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL27822840 0.68

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO APP 3412/4885NR4A2 1487/4885RXRA 917/4885

“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.