SCHEMBL9972873

SCHEMBL9972873

CC(O)COCCN(C)CCCl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
HBB P68871 1/20 0.44
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
PIK3CD O00329 1/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL13303943 0.84 MAPT (0.50) MAPTTSHRLMNATP53HTT
Hydrochloric Acid SCHEMBL9583920 0.82 LMNA (0.52) MAPTTSHRLMNATP53HTT
SCHEMBL15119548 0.81 MAPT (0.43) HSD17B10MAPTTSHRLMNATP53
SCHEMBL9972859 0.81 USP2 (0.44) HSD17B10MAPTTSHRLMNATP53
SCHEMBL22184548 0.77 HSD17B10 (0.56) HSD17B10MAPTTSHRLMNAHTT
SCHEMBL4537695 0.77 HSD17B10 (0.56) HSD17B10MAPTTSHRLMNAHTT
SCHEMBL30558029 0.77
SCHEMBL8422948 0.74 HSD17B10 (0.58) HSD17B10TSHRLMNATDP1MEN1
SCHEMBL9972864 0.71 MAPT (0.55) MAPTTSHRLMNATP53HTT
SCHEMBL17244862 0.71 HSD17B10 (0.54) HSD17B10TDP1SPHK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187810-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME ACTELION PHARMACEUTICALS, LTD. (CH) 2014-07-03 US disclosed
US-8501818-B2 Stabilized compositions of alkylating agents and methods of using same CEPTARIS THERAPEUTICS, INC. (US) 2013-08-06 US disclosed
US-20130184243-A1 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH CEPTARIS THERAPEUTICS, INC. (US) 2013-07-18 US disclosed
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
US-20120157545-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS ACTELION PHARMACEUTICALS, LTD. (CH) 2012-06-21 US disclosed
US-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME HELSINN HEALTHCARE SA (CH) 2010-06-17 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 (4 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-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 HSD17B10 4584/4885MAPT 2619/4885TSHR 4791/4885
US-20130184243-A1 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH MGMT, UNG, OGG1 HSD17B10 3622/4885MAPT 3685/4885TSHR 4712/4885
US-20140187810-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 HSD17B10 4584/4885MAPT 2619/4885TSHR 4791/4885
US-20120157545-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS S100A8, CUTA, S100A4 HSD17B10 2678/4885MAPT 1744/4885TSHR 4799/4885

“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.