SCHEMBL16697374

SCHEMBL16697374

COc1ccc(C=O)cc1-c1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
TSHR P16473 2/20 0.53
AOX1 Q06278 1/20 0.49
TTR P02766 1/20 0.47
FDPS P14324 1/20 0.46
HPGD P15428 5/20 0.45
TRIM24 O15164 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL1206443 0.88 ALDH1A1 (0.53) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL16711689 0.86 ALDH1A1 (0.58) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL3927724 0.85 TTR (0.54) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL3926144 0.84 TTR (0.59) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL13578465 0.84 PDE4D (0.52) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL29405127 0.84 PDE4D (0.52) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL15906120 0.82 ACHE (0.52) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL3920365 0.81 ALDH1A1 (0.70) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL16709388 0.81 S1PR4 (0.41) ALDH1A1HPGDTRIM24TDP1TRIM33
SCHEMBL16711687 0.80 AKR1C3 (0.49) ALDH1A1TSHRAOX1TTRFDPS

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-20150133467-A1 SCREENING METHOD, PROTEIN INSTABILITY AND/OR STABILITY INDUCERS, AND PROTEIN ACTIVITY ASSESSMENT KYOTO UNIVERSITY (JP) 2015-05-14 US disclosed
US-20150133467-A1 SCREENING METHOD, PROTEIN INSTABILITY AND/OR STABILITY INDUCERS, AND PROTEIN ACTIVITY ASSESSMENT KYOTO UNIVERSITY (JP) 2015-05-14 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-20150133467-A1 SCREENING METHOD, PROTEIN INSTABILITY AND/OR STABILITY INDUCERS, AND PROTEIN ACTIVITY ASSESSMENT IGF2BP1, IGF2BP2, IGF2BP3 ALDH1A1 2338/4885TSHR 3338/4885AOX1 2263/4885

“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.