SCHEMBL4100764

SCHEMBL4100764

COc1cc(C=O)ccc1-n1nnc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
ALDH1A3 P47895 1/20 0.52
TSHR P16473 1/20 0.49
HPGD P15428 2/20 0.45
TRIM24 O15164 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
AOX1 Q06278 1/20 0.42
TTR P02766 1/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4082754 0.75 ALDH1A1 (0.52) ALDH1A1ALDH1A3TSHRHPGDTRIM24
SCHEMBL4083040 0.75 ATM (0.54) ALDH1A1ALDH1A3TSHRHPGDTRIM24
SCHEMBL4082710 0.75 ALDH1A1 (0.52) ALDH1A1ALDH1A3TSHRHPGDTRIM24
SCHEMBL4082746 0.72 ALDH1A1 (0.59) ALDH1A1ALDH1A3TSHRHPGDTRIM24
SCHEMBL1237357 0.69 ALDH1A1 (0.52) ALDH1A1ALDH1A3TSHRHPGDTRIM24
SCHEMBL758550 0.69 PSEN1 (0.57) ALDH1A1ALDH1A3
SCHEMBL29940580 0.69 PSEN1 (0.57) ALDH1A1ALDH1A3
SCHEMBL1049476 0.69 ALDH1A1 (1.00) ALDH1A1ALDH1A3TSHRHPGDTRIM24
SCHEMBL23043 0.68 ALDH1A1 (0.70) ALDH1A1ALDH1A3TSHRHPGDTRIM24
SCHEMBL29956457 0.68 ALDH1A1 (0.70) ALDH1A1ALDH1A3TSHRHPGDTRIM24

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.