SCHEMBL6708034

SCHEMBL6708034

CCCC#Cc1ccc(C(=O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
RARB P10826 1/20 0.42
TSHR P16473 3/20 0.41
MYC P01106 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN7 P35236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GRM1 Q13255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6705713 0.85 MGLL (0.44) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL7203454 0.84 RARB (0.40) ALDH1A1HPGDRARBTSHRMYC
SCHEMBL2835265 0.84 RAB9A (0.44) ALDH1A1HPGDRARBTSHRALOX15
SCHEMBL16302551 0.82 CA12 (0.53) ALDH1A1HPGDTSHRRAB9AMRGPRX4
SCHEMBL5667645 0.78 ALDH1A1 (0.47) ALDH1A1HPGDRARBTSHRHSD17B10
SCHEMBL5669097 0.77 ALDH1A1 (0.46) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL6304449 0.76 TLR8 (0.40)
SCHEMBL6708153 0.76 MMP2 (0.54) ALDH1A1RARBTSHRTP53
SCHEMBL3420562 0.75 TSHR (0.42) ALDH1A1HPGDTSHRMYCESR1
SCHEMBL5669192 0.75 ALDH1A1 (0.47) ALDH1A1HPGDRARBTSHRHSD17B10

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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R ALDH1A1 3363/4885HPGD 3126/4885RARB 2308/4885

“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.