SCHEMBL2769747

SCHEMBL2769747

COC(=O)CC1CC=CCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 7/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN9A Q15858 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6971257 0.86 BRD4 (0.46) BRD4ALDH1A1LMNATSHRCYP2C19
SCHEMBL510418 0.84 TSHR (0.41) KDM4EALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL2690835 0.79 KDM4E (0.42) KDM4EALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL4506452 0.76 BRD4 (0.39) BRD4ALDH1A1TSHRTDP1POLB
SCHEMBL22587458 0.76 KDM4E (0.43) KDM4EALDH1A1PKMSMN1; SMN2TDP1
SCHEMBL92858 0.76 KDM4E (0.43) KDM4EALDH1A1PKMSMN1; SMN2TDP1
SCHEMBL13895241 0.76 KDM4E (0.33) KDM4EALDH1A1PKMSMN1; SMN2TDP1
SCHEMBL24197361 0.75 BRD4 (0.50) BRD4ALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL2036054 0.75
SCHEMBL11571280 0.75 KDM4E (0.38) KDM4EALDH1A1PKMSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010089685-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed
EP-0174271-A2 Anthraceme derivatives CIBA-GEIGY AG (CH) 1986-03-12 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-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CYP3A7, QDPR, DHFR BRD4 876/4885KDM4E 1869/4885ALDH1A1 104/4885

“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.