SCHEMBL4082754

SCHEMBL4082754

COc1cc(C=O)ccc1-n1cc(C)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
ALDH1A3 P47895 1/20 0.52
TSHR P16473 1/20 0.49
TRIM24 O15164 1/20 0.45
HPGD P15428 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
FDPS P14324 1/20 0.43
ATM Q13315 1/20 0.43
BRD4 O60885 1/20 0.42
AOX1 Q06278 1/20 0.42
TTR P02766 1/20 0.40
CA2 P00918 2/20 0.40
CA5A P35218 2/20 0.40
CA9 Q16790 2/20 0.40
KCNH2 Q12809 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL14036559 0.78 NR4A1 (0.54) ALDH1A1TSHRBRD4KCNH2MAPT
SCHEMBL29940580 0.75 PSEN1 (0.57) ALDH1A1ALDH1A3KCNH2PSEN1PSEN2
SCHEMBL4100764 0.75 ALDH1A1 (0.52) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL4082710 0.75 ALDH1A1 (0.52) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL758550 0.75 PSEN1 (0.57) ALDH1A1ALDH1A3KCNH2PSEN1PSEN2
SCHEMBL4083040 0.75 ATM (0.54) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL4082889 0.73 ALDH1A1 (0.54) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL6852249 0.73 ALDH1A1 (0.54) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL28935681 0.72 KCNJ1 (0.51) ALDH1A1TRIM24TRIM33BRD4CA2
SCHEMBL28949998 0.72 P2RX7 (0.42) ALDH1A1ALDH1A3TSHRKCNH2MAPT

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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP 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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 ALDH1A1 159/4885ALDH1A3 98/4885TSHR 2351/4885

“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.