SCHEMBL19966112

SCHEMBL19966112

CC(C)NC1CCCCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.42
EPHX1 P07099 7/20 0.39
KDM4E B2RXH2 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP3A4 P08684 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL104545 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL19705361 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL22369902 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL7776775 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL18844888 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL278463 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL23319701 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM
Hydrochloric Acid SCHEMBL2863718 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM
Fluoride SCHEMBL7235974 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL1440206 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM

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
EP-3468997-B1 TREATMENT OF IGG4-RELATED DISEASES WITH ANTI-CD19 ANTIBODIES CROSSBINDING TO CD32B XENCOR INC (US) 2023-09-13 EP disclosed
US-11027242-B2 Nanofiltration membranes and methods of use NOVOMER, INC. (US) 2021-06-08 US disclosed
US-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-07-03 US disclosed
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-03-15 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 (3 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-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents HBS1L, DBNL, BOD1L1 ALDH1A1 3991/4885HSD17B10 4030/4885GAA 121/4885
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS ABCB11, ABCB7, BRI3BP ALDH1A1 4268/4885HSD17B10 4224/4885GAA 131/4885
US-11027242-B2 Nanofiltration membranes and methods of use MLEC, EPCAM, LNPK ALDH1A1 1130/4885HSD17B10 3295/4885GAA 1210/4885

“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.