SCHEMBL4244240

SCHEMBL4244240

COC(=O)C(CN)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.40
CTSK P43235 3/20 0.40
TSHR P16473 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSH P09668 2/20 0.38
CYP2D6 P10635 1/20 0.38
CTSD P07339 1/20 0.37
METAP2 P50579 2/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL389669 0.81 ALDH1A1 (0.40) ALDH1A1KMT2ALTA4HCTSKTSHR
SCHEMBL1176985 0.81 LTA4H (0.46) ALDH1A1KMT2ALTA4HCTSKTSHR
SCHEMBL390537 0.81 LTA4H (0.46) ALDH1A1KMT2ALTA4HCTSKTSHR
SCHEMBL1176986 0.81 LTA4H (0.46) ALDH1A1KMT2ALTA4HCTSKTSHR
SCHEMBL389670 0.81 ALDH1A1 (0.40) ALDH1A1KMT2ALTA4HCTSKTSHR
SCHEMBL489877 0.80 TSHR (0.40) ALDH1A1KMT2ALTA4HCTSKTSHR
SCHEMBL392982 0.80 KMT2A (0.39) ALDH1A1KMT2ALTA4HCTSKTSHR
SCHEMBL489879 0.80 TSHR (0.40) ALDH1A1KMT2ALTA4HCTSKTSHR
SCHEMBL392983 0.80 KMT2A (0.39) ALDH1A1KMT2ALTA4HCTSKTSHR
SCHEMBL490084 0.80 TSHR (0.40) ALDH1A1KMT2ALTA4HCTSKTSHR

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 ALDH1A1 3119/4885KMT2A 4780/4885LTA4H 335/4885

“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.