SCHEMBL4082710

SCHEMBL4082710

COc1cc(C=O)ccc1-n1cnc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
ALDH1A3 P47895 1/20 0.52
TSHR P16473 1/20 0.49
FDPS P14324 1/20 0.47
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
AOX1 Q06278 1/20 0.42
MAPT P10636 4/20 0.41
TTR P02766 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL20094522 0.86 TRPA1 (0.45) ALDH1A1ALDH1A3PSEN1PSEN2APH1B
SCHEMBL14878330 0.81 KMT2A (0.44) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL511425 0.78 NR4A1 (0.54) ALDH1A1TSHRMAPTPSEN1PSEN2
SCHEMBL158254 0.78 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29637044 0.78 NR4A1 (0.54) ALDH1A1TSHRMAPTPSEN1PSEN2
SCHEMBL156492 0.77 CA12 (0.50) TSHRHPGDMAPTTTRPSEN1
SCHEMBL14321145 0.77 ALOX5AP (0.36) ALDH1A1ALDH1A3TSHRFDPSHPGD
SCHEMBL6124230 0.76 ALDH1A1 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4082889 0.76 ALDH1A1 (0.54) ALDH1A1ALDH1A3TSHRFDPSHPGD
SCHEMBL513295 0.76 LMNA (0.50) ALDH1A1TDP1MAPTSMN1; SMN2LMNA

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.