SCHEMBL6830678

SCHEMBL6830678

CC(C)Cn1c(C(=O)Nc2ccc(Br)cc2C(=O)O)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.48
AKR1C1 Q04828 3/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
F10 P00742 1/20 0.42
DHODH Q02127 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6833953 0.88 SERPINE1 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL6834152 0.86 ALDH1A1 (0.49) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6835816 0.85 CCR2 (0.58) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6833936 0.85 CNR2 (0.47) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL6830750 0.84 HDAC3 (0.49) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834157 0.84 POLB (0.53) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6833315 0.84 AKR1C2 (0.51) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6833056 0.84 CNR2 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834189 0.83 AKR1C2 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6835781 0.82 MCL1 (0.55) AKR1C2AKR1C1AKR1C4AKR1C3MEN1

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
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 AKR1C2 2596/4885AKR1C1 2161/4885AKR1C4 2813/4885

“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.