SCHEMBL12102434

SCHEMBL12102434

CCC(=O)OC(=O)Cc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.49
ERBB2 P04626 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HIF1A Q16665 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
NFKB1 P19838 2/20 0.49
THPO P40225 2/20 0.49
PMP22 Q01453 2/20 0.49
TSHR P16473 2/20 0.49
GMNN O75496 1/20 0.49
CYP2D6 P10635 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
CYP3A4 P08684 3/20 0.48
KMT2A Q03164 3/20 0.48
ALOX15 P16050 2/20 0.48

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
SCHEMBL7465257 0.84 CYP4F2 (0.51) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL6595162 0.83 EGFR (0.53) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
Chlorphenacyl SCHEMBL7468547 0.77 LMNA (0.66) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL7472387 0.77 ALDH1A1 (0.57) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL14839588 0.76 CYP3A4 (0.58) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL8726196 0.75 CYP3A4 (0.46) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL30462532 0.75 HIF1A (0.53) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL9506408 0.74 ALDH1A1 (0.58) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL12102420 0.73 HDAC6 (0.68) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL7466474 0.73 LMNA (0.60) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A

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-RE46144-E1 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2016-09-13 US disclosed
US-9096627-B2 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2015-08-04 US disclosed
US-20140066419-A1 HYDROXAMIC ACID DERIVATIVES PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2014-03-06 US disclosed
US-20110269706-A1 Hydroxamic Acid Derivatives NORTHLAKE BIOSCIENCES LLC (US) 2011-11-03 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 (2 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-20140066419-A1 HYDROXAMIC ACID DERIVATIVES HDAC5, HDAC7, HDAC4 EGFR 2450/4885ERBB2 4053/4885ALDH1A1 1017/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 EGFR 1486/4885ERBB2 2539/4885ALDH1A1 689/4885

“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.