SCHEMBL13043980

SCHEMBL13043980

CC1(C)COB(c2cccc([N+](=O)[O-])c2)OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 1/20 0.45
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.41
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL6691480 0.84 TSHR (0.53) TSHRLMNAACHEALDH1A1KMT2A
SCHEMBL25238513 0.83 TSHR (0.42) TSHRLMNAACHEALDH1A1KMT2A
SCHEMBL16426133 0.82 SNCA (0.38)
SCHEMBL14983361 0.81 TSHR (0.50) TSHRLMNAACHEALDH1A1KMT2A
SCHEMBL20312474 0.81 HSD17B10 (0.42) LMNAACHEALDH1A1KMT2AMEN1
SCHEMBL103381 0.80 TSHR (0.52) TSHRLMNAACHEALDH1A1KMT2A
SCHEMBL6676884 0.79 TSHR (0.59) TSHRLMNAACHEALDH1A1KMT2A
SCHEMBL2648724 0.78 PGR (0.36) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL2658838 0.77 ALDH1A1 (0.44) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL5892480 0.76 ACHE (0.36) ACHEL3MBTL1CHRNA1CHRNB1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 US disclosed
US-7838523-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
US-20080153834-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2008-06-26 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-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE SLC43A1, SAMHD1, SNRPD2 TSHR 4456/4885LMNA 3366/4885ACHE 3773/4885
US-20080153834-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 TSHR 2579/4885LMNA 4187/4885ACHE 1389/4885

“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.