SCHEMBL4082889

SCHEMBL4082889

COc1cc(C=O)ccc1-n1cncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A3 P47895 1/20 0.54
AAK1 Q2M2I8 1/20 0.50
TSHR P16473 1/20 0.50
TRIM24 O15164 1/20 0.46
HPGD P15428 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
FDPS P14324 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
IMPDH2 P12268 1/20 0.44

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
SCHEMBL14321437 0.81 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2ALDH1A3AAK1
SCHEMBL13483443 0.79 AAK1 (0.48) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL18292146 0.79 AAK1 (0.48) ALDH1A1SMN1; SMN2AAK1TSHRPSEN1
SCHEMBL14321219 0.79 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2ALDH1A3CYP1A2
SCHEMBL1611931 0.78 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL1929867 0.78 NR4A1 (0.51) ALDH1A1KDM4EAAK1TSHRPSEN1
SCHEMBL4463682 0.78 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2ALDH1A3CYP1A2
SCHEMBL20335427 0.78 AAK1 (0.47) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL6852249 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EALDH1A3TSHRTRIM24
SCHEMBL4082710 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ALDH1A3TSHRTRIM24

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 159/4885KDM4E 3267/4885SMN1; SMN2 2585/4885

“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.