SCHEMBL1640448

SCHEMBL1640448

COC(=O)c1cn(C2CCCCC2)c(=O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MYC P01106 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.39
OPRK1 P41145 2/20 0.39
YAP1 P46937 1/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL1642049 0.99 ALDH1A1 (0.41) ALDH1A1NPSR1ATMSMN1; SMN2MYC
SCHEMBL31339568 0.96 CA12 (0.41) ALDH1A1NPSR1ATMSMN1; SMN2MYC
SCHEMBL30720545 0.93 CA12 (0.42) ALDH1A1NPSR1ATMSMN1; SMN2MYC
SCHEMBL25431879 0.86 CA12 (0.38) ALDH1A1SMN1; SMN2MYCCA12CA1
SCHEMBL31274995 0.84 ALDH1A1 (0.41) ALDH1A1NPSR1ATMSMN1; SMN2HPGD
SCHEMBL26914845 0.82 CA12 (0.39) ALDH1A1SMN1; SMN2MYCCA12CA1
SCHEMBL26914842 0.82 CA12 (0.39) ALDH1A1SMN1; SMN2MYCCA12CA1
SCHEMBL29168379 0.82 HTR3A (0.41) ALDH1A1MYCCA12CA1CA2
SCHEMBL27186711 0.81 CA12 (0.38) ALDH1A1SMN1; SMN2MYCCA12CA1
SCHEMBL31339582 0.81 ALDH1A1 (0.38) ALDH1A1NPSR1ATMSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC 2011-04-28 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-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN2, EGLN3 ALDH1A1 227/4885NPSR1 1982/4885ATM 3965/4885

“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.