SCHEMBL12379988

SCHEMBL12379988

COc1ccc2c(c1OC)CCC2(O)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.45
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PDE4A P27815 2/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL558664 0.75 ABCB1 (0.42) ABCB1PARP1ALDH1A1KDM4EHPGD
SCHEMBL11006912 0.73 PARP1 (0.43) ABCB1PARP1ALDH1A1KDM4EHPGD
SCHEMBL10723706 0.72 ALDH1A1 (0.46) ABCB1PARP1ALDH1A1KDM4EHPGD
SCHEMBL8526529 0.70 PARP1 (0.42) ABCB1PARP1ALDH1A1KDM4EHPGD
SCHEMBL9364511 0.69 KDM1A (0.46) PARP1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL11083684 0.69 PARP1 (0.41) ABCB1PARP1ALDH1A1KDM4EHPGD
SCHEMBL11027320 0.69 PARP1 (0.41) ABCB1PARP1ALDH1A1KDM4EHPGD
SCHEMBL355655 0.68 PARP1 (0.40) ABCB1PARP1ALDH1A1KDM4EHPGD
SCHEMBL30389479 0.68 CYP1A2 (0.40) ABCB1KDM4EKMT2APDE4ASIGMAR1
SCHEMBL6112924 0.67 MAPT (0.45) ABCB1PARP1MAPTKMT2AMEN1

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-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US 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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ABCB1 1756/4885PARP1 3609/4885ALDH1A1 1098/4885

“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.