SCHEMBL13097094

SCHEMBL13097094

O=C(CCC1CC1)N1CCC(O)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
HSD11B1 P28845 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.50
NPC1 O15118 1/20 0.46
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL31487813 0.83 TP53 (0.62) TP53HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL6526595 0.81 ALDH1A1 (0.56) TP53HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL7376982 0.80 HSD11B1 (0.56) TP53HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL13349895 0.79 TP53 (0.50) TP53HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL22874701 0.78 HSD11B1 (0.54) TP53HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL22875130 0.78 ALDH1A1 (0.50) TP53HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL7217209 0.78 TP53 (0.71) TP53HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL10035 0.78 NPC1 (0.52) ALDH1A1MEN1KMT2ANPC1GNAI3
SCHEMBL22602813 0.76 HSD11B1 (0.70) TP53HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL5517503 0.76 HSD11B1 (0.70) TP53HSD11B1ALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK TP53 3864/4885HSD11B1 326/4885ALDH1A1 524/4885

“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.