SCHEMBL14950602

SCHEMBL14950602

Cc1cc(C(=O)O)ccc1-c1cc(C)c(-c2cc(C)c(-c3ccc(C(=O)O)cc3C)cc2C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 3/20 0.52
PTPN7 P35236 2/20 0.52
MYC P01106 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GRM1 Q13255 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
RARB P10826 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ADH5 P11766 1/20 0.48
TTR P02766 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL14950582 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EGAAL3MBTL1TSHR
SCHEMBL68014 0.96 ALDH1A1 (0.57) ALDH1A1KDM4EGAAL3MBTL1TSHR
Hydrochloric Acid SCHEMBL4352471 0.93 ALDH1A1 (0.56) ALDH1A1KDM4EGAAL3MBTL1TSHR
SCHEMBL14947553 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EGAAL3MBTL1TSHR
SCHEMBL14947557 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EGAAL3MBTL1TSHR
SCHEMBL14947555 0.88 HSD17B1 (0.51) ALDH1A1KDM4EGAAL3MBTL1TSHR
SCHEMBL272092 0.86 TTR (0.56) ALDH1A1KDM4EGAAL3MBTL1TSHR
SCHEMBL6562948 0.85 HSD17B1 (0.50) ALDH1A1KDM4EGAAL3MBTL1TSHR
SCHEMBL17656286 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EGAAL3MBTL1TSHR
SCHEMBL11507830 0.83 RARB (0.63) ALDH1A1KDM4EGAAL3MBTL1TSHR

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-20130122297-A1 MOLECULAR GAUGE BLOCKS FOR BUILDING ON THE NANOSCALE NORTHWESTERN UNIVERSITY (US) 2013-05-16 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-20130122297-A1 MOLECULAR GAUGE BLOCKS FOR BUILDING ON THE NANOSCALE POF1B, PCNA, OGG1 ALDH1A1 3158/4885KDM4E 869/4885GAA 3361/4885

“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.