SCHEMBL14439697

SCHEMBL14439697

COC(=O)C1=C(C)N(C)C(C)=C(C(=O)O)C1c1ccccc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.67
GAA P10253 5/20 0.67
HTT P42858 2/20 0.65
TP53 P04637 1/20 0.65
ALDH1A1 P00352 4/20 0.52
CASP1 P29466 3/20 0.52
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 2/20 0.49
CASP7 P55210 2/20 0.49
NPSR1 Q6W5P4 5/20 0.49
NR1I2 O75469 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
HSP90AA1 P07900 1/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 2/20 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
SCHEMBL11684253 0.82 TSHR (0.64) TSHRGAAHTTTP53ALDH1A1
SCHEMBL11683170 0.80 TSHR (0.65) TSHRGAAHTTTP53ALDH1A1
SCHEMBL7414856 0.80 NR1I2 (0.67) TSHRGAAHTTTP53ALDH1A1
SCHEMBL14987090 0.78 TSHR (0.74) TSHRGAAHTTTP53ALDH1A1
SCHEMBL5363492 0.77 TSHR (0.74) TSHRGAAHTTTP53ALDH1A1
SCHEMBL5907168 0.76 TSHR (0.52) TSHRGAAHTTTP53ALDH1A1
SCHEMBL3034560 0.76 NR1I2 (0.73) TSHRGAATP53ALDH1A1CASP1
SCHEMBL29676206 0.76 NR1I2 (0.73) TSHRGAATP53ALDH1A1CASP1
SCHEMBL11681685 0.75 CASP1 (0.90) TSHRGAAHTTTP53ALDH1A1
SCHEMBL14987376 0.75 TSHR (0.68) TSHRGAAHTTTP53ALDH1A1

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-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 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-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TSHR 4253/4885GAA 814/4885HTT 210/4885

“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.