SCHEMBL4083040

SCHEMBL4083040

COc1cc(C=O)ccc1-n1nnnc1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ALDH1A1 P00352 8/20 0.52
ALDH1A3 P47895 1/20 0.52
TSHR P16473 2/20 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
AOX1 Q06278 1/20 0.42
TTR P02766 1/20 0.40
KCNN4 O15554 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KCNJ1 P48048 1/20 0.38

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
SCHEMBL4203800 0.90 ATM (0.55) ATMALDH1A1ALDH1A3TSHRTRIM24
SCHEMBL13742990 0.81 KCNJ1 (0.42) ATMALDH1A1ALDH1A3TSHRKCNJ1
SCHEMBL4100764 0.75 ALDH1A1 (0.52) ATMALDH1A1ALDH1A3TSHRTRIM24
SCHEMBL4082754 0.75 ALDH1A1 (0.52) ATMALDH1A1ALDH1A3TSHRTRIM24
SCHEMBL4211677 0.74 KCNN4 (0.66) ALDH1A1TSHRHPGDKCNN4MAPT
SCHEMBL4201299 0.72 ALDH1A1 (0.52) ATMALDH1A1TSHRHPGDTDP1
SCHEMBL4205532 0.72 ATM (0.45) ATMALDH1A1TSHRHPGDTDP1
SCHEMBL4202229 0.72 ATM (0.51) ATMALDH1A1ALDH1A3TSHRTRIM24
SCHEMBL15786417 0.72 KMT2A (0.55) ATMALDH1A1TSHRHPGDKCNN4
SCHEMBL4082746 0.72 ALDH1A1 (0.59) ATMALDH1A1ALDH1A3TSHRTRIM24

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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
US-20090131498-A1 Enantioselective Synthesis of Merrilactone and Its Analogs NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-05-21 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 (2 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-20090131498-A1 Enantioselective Synthesis of Merrilactone and Its Analogs PMP22, CYP51A1, NTRK1 ATM 3950/4885ALDH1A1 934/4885ALDH1A3 403/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 ATM 3029/4885ALDH1A1 159/4885ALDH1A3 98/4885

“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.