SCHEMBL1195272

SCHEMBL1195272

Cc1cccc(Cl)c1OCC(=O)N[C@H](C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ KMT2A Q03164 6/20 0.49
▸ POLB P06746 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NOTUM Q6P988 1/20 0.44
▸ TRPM4 Q8TD43 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX12 P18054 1/20 0.42

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
SCHEMBL1194721 1.00 HSD17B10 (0.53) HSD17B10ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL3401096 1.00 HSD17B10 (0.53) HSD17B10ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL15346284 0.84 KMT2A (0.46) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL15346290 0.84 KMT2A (0.46) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL15346482 0.84 KMT2A (0.46) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL15346319 0.80 KMT2A (0.47) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL15346345 0.79 KMT2A (0.52) HSD17B10ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL1887188 0.78 KMT2A (0.77) KDM4EKMT2APOLBRAB9AMAPT
SCHEMBL14499030 0.77 KMT2A (0.58) HSD17B10ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL16005822 0.75 KMT2A (0.56) HSD17B10ALDH1A1SMN1; SMN2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2011-02-03 — — US claimed
US-8841347-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-09-23 — — US disclosed
US-8633251-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-01-21 — — US disclosed
US-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2013-10-31 — — US disclosed
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2011-02-03 — — 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-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE SCN1A, SCN3A, ACHE HSD17B10 840/4885ALDH1A1 461/4885SMN1; SMN2 812/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A HSD17B10 833/4885ALDH1A1 541/4885SMN1; SMN2 914/4885

“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.

Send feedback