SCHEMBL22004402

SCHEMBL22004402

CCCC(C)c1cc(Br)cc(Cl)c1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
WDR5 P61964 6/20 0.36
ACLY P53396 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.30
TSHR P16473 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
SCHEMBL22004184 0.81 GABRA1 (0.34) GABRA1GABRB1CYP1A2CYP2C19
SCHEMBL21883610 0.80 IDO1 (0.34) GABRA1GABRB1ACLYCYP1A2CYP2C9
SCHEMBL22005121 0.80 TTR (0.37) GABRA1GABRB1ACLYMEN1KMT2A
SCHEMBL9967745 0.78 GABRA1 (0.72) GABRA1GABRB1WDR5MEN1KMT2A
SCHEMBL22028461 0.76 ALDH1A1 (0.38) MEN1KMT2AMAPTCYP1A2SMN1; SMN2
SCHEMBL22005122 0.75 LMNA (0.44) ACLYMEN1KMT2AHSD17B10ESR1
SCHEMBL631530 0.72 RORC (0.45) GABRA1GABRB1MEN1KMT2AMAPT
SCHEMBL30395710 0.72 RORC (0.45) GABRA1GABRB1MEN1KMT2AMAPT
SCHEMBL19780142 0.72 GABRA1 (0.41) GABRA1GABRB1CYP1A2HIF1ATSHR
SCHEMBL26771218 0.72 LMNA (0.44) GABRA1GABRB1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG GABRA1 2555/4885GABRB1 1643/4885WDR5 1721/4885

“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.