SCHEMBL12293443

SCHEMBL12293443

Cc1ccccc1-c1cc(C(C)(C)C)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
ALOX15 P16050 4/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
PLA2G1B P04054 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ESR1 P03372 3/20 0.47
ESR2 Q92731 2/20 0.47
MAPT P10636 6/20 0.47

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
SCHEMBL1765602 0.87 ALDH1A1 (0.57) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL5680763 0.85 ALDH1A1 (0.55) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL29785519 0.84 ALDH1A1 (0.70) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL6240718 0.84 ALDH1A1 (0.70) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL12293438 0.81 ALDH1A1 (0.50) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL12293445 0.81 ALDH1A1 (0.50) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL15274963 0.80 ALDH1A1 (0.53) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL30504387 0.79 KMT2A (0.52) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL17500131 0.78 MEN1 (0.50) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL12293450 0.78 ALDH1A1 (0.47) HPGDALDH1A1ALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B HPGD 2783/4885ALDH1A1 2135/4885ALOX15 3138/4885

“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.