SCHEMBL21160714

SCHEMBL21160714

CC(C)OC(=O)/C(C#N)=C/C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
PTP4A3 O75365 1/20 0.41
PTP4A2 Q12974 1/20 0.41
PTP4A1 Q93096 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.38
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.32
IDE P14735 1/20 0.31
ADRA1A P35348 1/20 0.31
PDE4D Q08499 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL27853457 0.82 ALDH1A1 (0.50) ALDH1A1PTP4A3PTP4A2PTP4A1MAPT
SCHEMBL21037252 0.82 ALDH1A1 (0.50) ALDH1A1PTP4A3PTP4A2PTP4A1MAPT
SCHEMBL22138282 0.79 MEN1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL5441460 0.79 ADORA2A (0.40) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL5441461 0.79 ADORA2A (0.40) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL24089780 0.77 ALDH1A1 (0.47) ALDH1A1PTP4A3PTP4A2PTP4A1MAPT
SCHEMBL21160731 0.77 CYP2C9 (0.33) ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL667301 0.76 ALDH1A1 (0.46) ALDH1A1PTP4A3PTP4A2PTP4A1MAPT
SCHEMBL11653026 0.76 ALDH1A1 (0.46) ALDH1A1PTP4A3PTP4A2PTP4A1MAPT
SCHEMBL21234916 0.74 ALDH1A1 (0.48) ALDH1A1PTP4A3PTP4A2PTP4A1MAPT

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 ALDH1A1 3152/4885PTP4A3 2338/4885PTP4A2 2374/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN ALDH1A1 3475/4885PTP4A3 4045/4885PTP4A2 3546/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B ALDH1A1 422/4885PTP4A3 4023/4885PTP4A2 4025/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF ALDH1A1 3152/4885PTP4A3 2338/4885PTP4A2 2374/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B ALDH1A1 422/4885PTP4A3 4023/4885PTP4A2 4025/4885

“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.