SCHEMBL19546321

SCHEMBL19546321

CC(C)(C)NC(C(=O)C(C)(C)C)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.39
ESR2 Q92731 6/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MAPT P10636 4/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
CA12 O43570 1/20 0.37
BRD4 O60885 1/20 0.37
NR1I2 O75469 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MB P02144 1/20 0.37
CYP1A1 P04798 1/20 0.37
CA3 P07451 1/20 0.37
RARG P13631 1/20 0.37
TSHR P16473 1/20 0.37
ALOX5AP P20292 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL20850016 0.84 SLC6A4 (0.49) MAPTCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19546575 0.84 SLC6A4 (0.49) MAPTCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20849991 0.84 SLC6A4 (0.49) MAPTCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19546319 0.81 ESR1 (0.41) ESR1ESR2PDCD1CD274MAPT
SCHEMBL19544672 0.80 ACACB (0.45) MAPTCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL13630710 0.71 ESR1 (0.46) ESR1ESR2MAPTTSHRKMT2A
SCHEMBL12250719 0.71 ESR1 (0.46) ESR1ESR2MAPTTSHRKMT2A
SCHEMBL12250708 0.71 ESR1 (0.46) ESR1ESR2MAPTTSHRKMT2A
SCHEMBL31395295 0.71 NPSR1 (0.50) ESR1ESR2CYP3A4CA12CA1
SCHEMBL21335522 0.71 ESR1 (0.44) ESR1ESR2PDCD1CD274MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 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 (2 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-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 ESR1 2621/4885ESR2 3232/4885PDCD1 4108/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 ESR1 2621/4885ESR2 3232/4885PDCD1 4108/4885

“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.