SCHEMBL3216748

SCHEMBL3216748

CC(O)c1c(Br)c(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.57
▸ MEN1 O00255 9/20 0.57
▸ KMT2A Q03164 9/20 0.57
▸ USP2 O75604 8/20 0.57
▸ GAA P10253 7/20 0.57
▸ MAPT P10636 6/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ HPGD P15428 6/20 0.57
▸ CASP1 P29466 6/20 0.57
▸ CASP7 P55210 6/20 0.57
▸ LMNA P02545 5/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ GLA P06280 4/20 0.57
▸ ATM Q13315 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ SLC16A3 O15427 1/20 0.50
▸ TDP1 Q9NUW8 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49

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
SCHEMBL4388821 0.92 KMT2A (0.64) ALDH1A1MEN1KMT2AUSP2GAA
SCHEMBL4387130 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AUSP2GAA
SCHEMBL3212995 0.82 MEN1 (0.53) ALDH1A1MEN1KMT2AUSP2GAA
SCHEMBL3209976 0.81 SLC16A3 (0.54) ALDH1A1MEN1KMT2AUSP2GAA
SCHEMBL16316690 0.80 KMT2A (0.63) ALDH1A1MEN1KMT2AUSP2GAA
SCHEMBL3210881 0.78 KMT2A (0.82) ALDH1A1MEN1KMT2AUSP2GAA
SCHEMBL17716517 0.78 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AUSP2GAA
SCHEMBL30056369 0.78 KMT2A (0.82) ALDH1A1MEN1KMT2AUSP2GAA
SCHEMBL17914323 0.77 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AUSP2GAA
SCHEMBL12153732 0.77 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AUSP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — 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-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 ALDH1A1 18/4885MEN1 2261/4885KMT2A 3808/4885

“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.

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