SCHEMBL6804716

SCHEMBL6804716

Cc1ccc(-c2cc(N(C)C)ccc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
LTB4R2 Q9NPC1 2/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
SLC16A3 O15427 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL6799120 0.90 HDAC7 (0.49) MCL1SMN1; SMN2ALDH1A1TSHRLTB4R2
SCHEMBL6804144 0.87 HSD17B10 (0.49) MCL1SMN1; SMN2ALDH1A1TSHRLTB4R2
SCHEMBL9762624 0.87 MEN1 (0.46) SMN1; SMN2ALDH1A1LTB4R2SLC16A3AKR1C2
SCHEMBL6802096 0.86 NPC1 (0.44) SMN1; SMN2ALDH1A1TSHRLTB4R2PRKAG1
SCHEMBL8533393 0.86 ALDH1A1 (0.46) MCL1SMN1; SMN2ALDH1A1LTB4R2SLC16A3
SCHEMBL10606874 0.84 SLC16A3 (0.50) SMN1; SMN2ALDH1A1TSHRSLC16A3HSD17B10
SCHEMBL6803884 0.83 GABRG2 (0.48) SMN1; SMN2ALDH1A1TSHRHSD17B10RAB9A
SCHEMBL6498971 0.83 HDAC7 (0.57) MCL1SMN1; SMN2ALDH1A1PRKAB2PRKAG1
SCHEMBL6809087 0.82 CYP2C8 (0.49) ALDH1A1AKR1C2HSD17B10KDM4E
SCHEMBL6804641 0.81 HSD17B10 (0.49) MCL1SMN1; SMN2ALDH1A1TSHRLTB4R2

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 MCL1 1945/4885SMN1; SMN2 1854/4885ALDH1A1 2901/4885

“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.