SCHEMBL12899396

SCHEMBL12899396

C=C(C)C(C)C(=O)NCc1ccccc1OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
POLB P06746 1/20 0.62
HPGD P15428 3/20 0.60
HTT P42858 1/20 0.60
HSD17B10 Q99714 2/20 0.57
ANPEP P15144 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 1/20 0.53
HDAC1 Q13547 1/20 0.52

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
SCHEMBL15831228 0.85 ALDH1A1 (0.75) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL8477018 0.82 HPGD (0.61) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL12898776 0.81 TSHR (0.44) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL21004152 0.80 TSHR (0.80) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL13688925 0.80 ALDH1A1 (0.68) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL10163441 0.79 HPGD (0.65) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL885000 0.79 MTNR1A (0.71) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL12884470 0.78 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL17152233 0.77 HPGD (0.63) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL10053738 0.77 POLB (1.00) ALDH1A1TSHRMEN1KMT2APOLB

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-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 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-20110028447-A1 INDAZOLE DERIVATIVES CNR1, CNR2, GPR119 ALDH1A1 1172/4885TSHR 309/4885MEN1 1806/4885

“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.