SCHEMBL3723071

SCHEMBL3723071

CC(C)Oc1ccc(CBr)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.45
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
XDH P47989 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
GAA P10253 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL3719650 0.85 CSNK2A1 (0.45) CSNK2A1S1PR3S1PR5MAPTALDH1A1
SCHEMBL3721206 0.85 HTT (0.35) CSNK2A1MAPTALDH1A1KDM4ETDP1
SCHEMBL28293124 0.84 CSNK2A1 (0.65) CSNK2A1S1PR3S1PR5MAPTALDH1A1
SCHEMBL21191017 0.83 ALDH1A1 (0.34) CSNK2A1MAPTALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL23162638 0.82 CSNK2A1 (0.66) CSNK2A1S1PR3S1PR5MAPTALDH1A1
SCHEMBL30640901 0.81 PDE4A (0.35) MAPTALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL21223997 0.81 PDE4A (0.35) MAPTALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL26291239 0.80 CSNK2A1 (0.44) CSNK2A1RXRARXRBRXRGP2RX3
SCHEMBL3718847 0.80 CSNK2A1 (0.70) CSNK2A1S1PR3ALDH1A1KDM4ELMNA
SCHEMBL8712614 0.79 ABL1 (0.42) CSNK2A1S1PR3S1PR5ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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 (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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC CSNK2A1 1096/4885S1PR3 3426/4885S1PR5 3397/4885

“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.