SCHEMBL3723675

SCHEMBL3723675

Cc1cc(OC(C)C)ccc1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
PARP10 Q53GL7 1/20 0.39
BRD4 O60885 1/20 0.39
BRPF1 P55201 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ALDH1A3 P47895 1/20 0.37
TSPO P30536 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
NLRP1 Q9C000 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL18067941 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL3718510 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL25184625 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL18922735 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL22596400 0.81 ACHE (0.51) ALDH1A1KDM4ETDP1POLBKMT2A
SCHEMBL14157578 0.81 TDP1 (0.68) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL3721184 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL8420644 0.80 APLNR (0.44) ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL13258015 0.79 ALDH1A1 (0.41) ALDH1A1POLBKMT2APARP10BRD4
SCHEMBL3719649 0.79 EPHX2 (0.42) ALDH1A1KDM4EHPGDPOLBKMT2A

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 ALDH1A1 276/4885KDM4E 1375/4885HPGD 672/4885

“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.