SCHEMBL21268024

SCHEMBL21268024

O=C1OC(OP(O)O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
HSD11B1 P28845 1/20 0.36
AKR1C3 P42330 1/20 0.36
PDE4D Q08499 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29441612 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EKMT2APOLB
SCHEMBL11213802 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EKMT2APOLB
SCHEMBL2631833 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EMAPTPOLB
SCHEMBL14950486 0.74 POLB (0.56) ALDH1A1HSD17B10KDM4EMAPTKMT2A
SCHEMBL28358593 0.74 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EPOLBLMNA
SCHEMBL17835532 0.74 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EMAPTKMT2A
SCHEMBL10310217 0.74 POLB (0.56) ALDH1A1HSD17B10KDM4EMAPTKMT2A
SCHEMBL8577595 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EPOLBLMNA
SCHEMBL6805564 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL9910017 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285424-B Preparation process of methyl acrylate by using catalyst containing active components 山东开泰石化股份有限公司 2024-02-13 CN disclosed
CN-117285424-A Preparation process of methyl acrylate by using catalyst containing active components 山东开泰石化股份有限公司 2023-12-26 CN disclosed
US-10874667-B2 Pharmaceutical salt of antitumor heterocyclic imidazole compound Shanghai Huilin Life Scinece & Technology Co., Ltd. (CN) 2020-12-29 US disclosed
US-20200038394-A1 PHARMACEUTICAL SALT OF ANTITUMOR HETEROCYCLIC IMIDAZOLE COMPOUND SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD. (CN) 2020-02-06 US disclosed
EP-3527566-A1 PHARMACEUTICAL SALT OF ANTITUMOR HETEROCYCLIC IMIDAZOLE COMPOUND Shanghai Huilun Life Science & Technology Co., Ltd (CN) 2019-08-21 EP 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-10874667-B2 Pharmaceutical salt of antitumor heterocyclic imidazole compound PARP1, PARP11, HDAC11 ALDH1A1 117/4885HSD17B10 1840/4885KDM4E 972/4885
US-20200038394-A1 PHARMACEUTICAL SALT OF ANTITUMOR HETEROCYCLIC IMIDAZOLE COMPOUND PARP1, PARP11, HDAC11 ALDH1A1 117/4885HSD17B10 1840/4885KDM4E 972/4885

“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.