SCHEMBL14957662

SCHEMBL14957662

O=C(O)CCC=Cc1ccc(Br)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ PAM P19021 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ EPOR P19235 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ VCP P55072 1/20 0.35
▸ MAOA P21397 4/20 0.35
▸ MAOB P27338 4/20 0.35

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
SCHEMBL14957661 1.00 TBXAS1 (0.40) TBXAS1AKR1C3AKR1C2PAMHDAC1
SCHEMBL29331987 0.79 HDAC1 (0.40) TBXAS1HDAC1HDAC8VCPMAPT
SCHEMBL571591 0.78 HSD17B3 (0.56) TBXAS1PAMHDAC1HDAC8HDAC3
SCHEMBL571592 0.78 HSD17B3 (0.56) TBXAS1PAMHDAC1HDAC8HDAC3
SCHEMBL21791369 0.78 HSD17B3 (0.56) TBXAS1PAMHDAC1HDAC8HDAC3
SCHEMBL727448 0.77 HSD11B1 (0.50) TBXAS1PAMALDH1A1FFAR1MAPT
SCHEMBL727447 0.77 HSD11B1 (0.50) TBXAS1PAMALDH1A1FFAR1MAPT
SCHEMBL18191210 0.77 ALDH1A1 (0.52) AKR1C3AKR1C2ALDH1A1VCPMAOA
SCHEMBL19582800 0.77 GRIK1 (0.49) TBXAS1PAMHDAC1HDAC8HDAC3
SCHEMBL2043779 0.77 HSD11B1 (0.50) TBXAS1PAMALDH1A1FFAR1MAPT

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-8604024-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 — — US disclosed
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-05-23 — — 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-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, SCN2B TBXAS1 2289/4885AKR1C3 168/4885AKR1C2 346/4885

“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.

Send feedback