SCHEMBL14646344

SCHEMBL14646344

CC(O)COC1CCCC1OCC(C)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 2/20 0.30

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
SCHEMBL15119450 0.94 CTSV (0.35) MAPK1HSD17B10KDM4EAPOBEC3AAPOBEC3G
SCHEMBL14646354 0.92 HSD17B10 (0.34) MAPK1HSD17B10MEN1KMT2AHTT
SCHEMBL14646346 0.88 HSD17B10 (0.32) HSD17B10
SCHEMBL15119446 0.88 HSD17B10 (0.45) HSD17B10HTT
SCHEMBL15120673 0.85 MAPK1 (0.35) MAPK1MEN1KMT2AHTT
SCHEMBL3385012 0.81 ALDH1A1 (0.41) MAPK1KDM4EAPOBEC3AAPOBEC3GMEN1
SCHEMBL8526510 0.78 MAPK1 (0.36) MAPK1MEN1KMT2AHTT
SCHEMBL9187798 0.78 MAPK1 (0.36) MAPK1MEN1KMT2AHTT
SCHEMBL9475504 0.78 KDM4E (0.30) KDM4EAPOBEC3AAPOBEC3G
SCHEMBL9188490 0.78 MAPK1 (0.36) MAPK1MEN1KMT2AHTT

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-20130184243-A1 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH CEPTARIS THERAPEUTICS, INC. (US) 2013-07-18 US disclosed
WO-2013009800-A2 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH CEPTARIS THERAPEUTICS, INC. (US) 2013-01-17 WO 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-20130184243-A1 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH MGMT, UNG, OGG1 MAPK1 4223/4885HSD17B10 3622/4885KDM4E 745/4885

“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.