SCHEMBL178675

SCHEMBL178675

CC(C)OC(=O)NCCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 4/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX15 P16050 2/20 0.41
FAAH O00519 1/20 0.37
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
RAB9A P51151 1/20 0.34
ABCB11 O95342 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GSR P00390 1/20 0.33

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
SCHEMBL21386057 0.88 ALOX15 (0.46) SMN1; SMN2HTTLMNATSHRCYP1A2
SCHEMBL28879479 0.82
SCHEMBL104010 0.80 ALOX15 (0.50) SMN1; SMN2HTTLMNATSHRCYP1A2
SCHEMBL606535 0.80 CHRNB2 (0.49) SMN1; SMN2HTTLMNATSHRCYP1A2
SCHEMBL606534 0.80 ALOX15 (0.42) SMN1; SMN2HTTLMNATSHRCYP1A2
SCHEMBL7771523 0.79 ALOX15 (0.40) SMN1; SMN2HTTLMNATSHRCYP1A2
SCHEMBL422850 0.78 ALOX15 (0.41) SMN1; SMN2HTTLMNATSHRCYP1A2
SCHEMBL1467216 0.78 ALOX15 (0.41) SMN1; SMN2HTTLMNATSHRCYP1A2
SCHEMBL19982874 0.78 MAPK1 (0.44) SMN1; SMN2HTTLMNATSHRCYP1A2
SCHEMBL6615472 0.78 ALOX15 (0.41) SMN1; SMN2HTTLMNATSHRCYP1A2

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-8728442-B2 Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides BAYER CROPSCIENCE LP (US) 2014-05-20 US disclosed
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 US disclosed
US-5192803-A Insecticides, miticides, larvicides, ovicides CIBA-GEIGY CORPORATION (US) 1993-03-09 US disclosed
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 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 (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-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI SPOUT1, ERG28, DDT SMN1; SMN2 1928/4885HTT 864/4885LMNA 2562/4885

“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.