SCHEMBL12835231

SCHEMBL12835231

CC1CCC(C(=O)Nc2ccc(CO)cc2)C(C(=O)O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TRPM8 Q7Z2W7 2/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 4/20 0.48
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

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
SCHEMBL12172894 0.89 ALDH1A1 (0.65) HTTSMN1; SMN2KDM4EALDH1A1TRPM8
SCHEMBL12835232 0.85 TDP1 (0.49) HTTSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL12172852 0.85 HTT (0.55) HTTSMN1; SMN2KDM4EALDH1A1TRPM8
SCHEMBL12835472 0.83 HTT (0.54) HTTSMN1; SMN2KDM4ETRPM8POLB
SCHEMBL15133477 0.83 TRPM8 (0.70) SMN1; SMN2ALDH1A1TRPM8RAB9AMAPT
SCHEMBL367373 0.83 TRPM8 (0.70) SMN1; SMN2ALDH1A1TRPM8RAB9AMAPT
SCHEMBL2628643 0.83 TRPM8 (0.70) SMN1; SMN2ALDH1A1TRPM8RAB9AMAPT
SCHEMBL12172882 0.81 HTT (0.51) HTTSMN1; SMN2KDM4EALDH1A1TRPM8
SCHEMBL12172889 0.79 FNTA (0.72) HTTSMN1; SMN2KDM4EALDH1A1TRPM8
SCHEMBL12172870 0.78 GAA (0.73) HTTSMN1; SMN2KDM4EALDH1A1TRPM8

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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 US disclosed
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 WO 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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 HTT 3044/4885SMN1; SMN2 4278/4885KDM4E 796/4885

“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.