SCHEMBL21160712

SCHEMBL21160712

CC(C)(C)/C=C(\C#N)c1nc2ccc(C(=O)O)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 1/20 0.43
DRD1 P21728 1/20 0.43
OPRD1 P41143 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
MAPT P10636 8/20 0.40
KDM4E B2RXH2 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 3/20 0.39
TDP1 Q9NUW8 3/20 0.39

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
SCHEMBL24089827 0.89 TTR (0.40) TTRALBMAOACNR1DRD1
SCHEMBL21037399 0.83 TTR (0.43) TTRALBMAOACNR1DRD1
SCHEMBL22313625 0.80 MAPT (0.40) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL21160734 0.79 MAPT (0.59) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL21037398 0.74 SMN1; SMN2 (0.46) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL29784106 0.69 TAS1R3 (0.57) TTRALBMAOACNR1DRD1
SCHEMBL20898200 0.69 LCK (0.57) TTRALBMAOACNR1DRD1
SCHEMBL703616 0.69 TAS1R3 (0.57) TTRALBMAOACNR1DRD1
SCHEMBL1121798 0.66 TTR (0.64) TTRALBMAOACNR1DRD1
Hydrochloric Acid SCHEMBL11595567 0.66 NPC1 (0.46) TTRALBMAOACNR1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20210382060-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF Shanghai Glory Capital Management Ltd. (CN) 2021-12-09 US disclosed
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 US disclosed
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 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 (5 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF TTR 137/4885ALB 73/4885MAOA 4384/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN TTR 1502/4885ALB 1184/4885MAOA 4747/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B TTR 492/4885ALB 325/4885MAOA 902/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF TTR 137/4885ALB 73/4885MAOA 4384/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B TTR 492/4885ALB 325/4885MAOA 902/4885

“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.