SCHEMBL27185752

SCHEMBL27185752

CCOC(=O)c1cc2c(C)ccc(Br)c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.45
MAOB P27338 2/20 0.44
MAPT P10636 6/20 0.42
ALOX15 P16050 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
TP53 P04637 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 3/20 0.40
ALOX5 P09917 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL24522302 0.88 AKR1B1 (0.49) AKR1B1MAOBMAPTMEN1KMT2A
SCHEMBL27185388 0.85 LMNA (0.43) AKR1B1MAOBMAPTALOX15MEN1
SCHEMBL7699050 0.83 MAOB (0.47) AKR1B1MAOBMAPTMEN1KMT2A
SCHEMBL26113710 0.81 MAOB (0.45) AKR1B1MAOBMAPTALOX15MEN1
SCHEMBL30587208 0.81 MAOB (0.45) AKR1B1MAOBMAPTALOX15MEN1
SCHEMBL4991500 0.80 AKR1B1 (0.54) AKR1B1MAOBMAPTMEN1KMT2A
SCHEMBL16345218 0.80 LMNA (0.43) AKR1B1MAOBMAPTALOX15MEN1
SCHEMBL28372755 0.77 MAOB (0.56) AKR1B1MAOBMEN1KMT2AHPGD
SCHEMBL931020 0.77 MAOB (0.51) AKR1B1MAOBMAPTMEN1KMT2A
SCHEMBL1887600 0.77 MAOB (0.56) AKR1B1MAOBMEN1KMT2AHPGD

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-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
WO-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 WO 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-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS STING1, MAVS, IRF3 AKR1B1 3143/4885MAOB 1849/4885MAPT 4171/4885

“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.