SCHEMBL17570461

SCHEMBL17570461

CCC(=O)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IAPP P10997 2/20 0.39
CES2 O00748 4/20 0.38
CES1 P23141 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
ALOX5 P09917 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 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
SCHEMBL28457741 0.82 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1CES2CES1L3MBTL1
SCHEMBL10728992 0.80 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1IAPPCES2CES1
SCHEMBL28674793 0.80 HSD11B1 (0.44) HSD11B1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1095111 0.79 KEAP1 (0.46) SMN1; SMN2ALDH1A1RAB9AMAPTGAA
SCHEMBL9517922 0.78 KEAP1 (0.45) SMN1; SMN2ALDH1A1RAB9AMAPTGAA
Ethane SCHEMBL28508951 0.77 KDM4E (0.41) SMN1; SMN2ALDH1A1L3MBTL1MAPTTDP1
SCHEMBL10837900 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1ALOX5TSHR
SCHEMBL9858681 0.76 KDM4E (0.43) SMN1; SMN2L3MBTL1MAPTTDP1TSHR
Acetic Acid SCHEMBL27333745 0.76 CES2 (0.38) SMN1; SMN2ALDH1A1CES2CES1L3MBTL1
SCHEMBL10732000 0.76 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1RAB9AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067351-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES NOVARTIS AG (CH) 2016-03-10 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-20160067351-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES PTMS, FCGR2A, FCGR3B HSD11B1 4853/4885SMN1; SMN2 4078/4885ALDH1A1 3096/4885

“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.