SCHEMBL5494482

SCHEMBL5494482

C=CC(=O)Oc1ccccc1NC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
BRD4 O60885 1/20 0.51
POLB P06746 3/20 0.51
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL5498515 0.90 HSD17B10 (0.63) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL28804225 0.85 ALDH1A1 (0.46) HSD17B10ALDH1A1THRATHRBLMNA
SCHEMBL9287644 0.83 HSD17B10 (0.68) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL19389323 0.82 HSD17B10 (0.52) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL8886874 0.81 HSD17B10 (0.66) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL25414139 0.81 TDP2 (0.42) HSD17B10POLBTHRATHRBLMNA
SCHEMBL28422486 0.81 KMT2A (0.43) HSD17B10BRD4ALDH1A1LMNASMN1; SMN2
SCHEMBL30557302 0.80 KMT2A (0.50) POLBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9244529 0.80 TGM2 (0.47) POLBALDH1A1HPGDTHRATHRB
SCHEMBL11765981 0.80 BRD4 (0.45) HSD17B10BRD4POLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114794-A1 METAL COMPLEX, INTERMEDIATE, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-04-13 US disclosed
CN-111918881-B Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2022-08-12 CN disclosed
EP-3865494-A1 METAL COMPLEX, INTERMEDIATE, AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-08-18 EP disclosed
CN-111918881-A Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2020-11-10 CN disclosed
EP-1567535-B1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS HOFFMANN LA ROCHE (CH) 2007-01-17 EP disclosed
US-6984744-B2 Phosphine ligands HOFFMAN-LA ROCHE INC. (US) 2006-01-10 US disclosed
EP-1567535-A1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004050669-A1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110975-A1 2-(2-phosphinoethyl)phospholanes and transition metal complexes with such ligands in asymmetric hydrogenation reactions; phospholone intermediates F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 US disclosed
CN-1067071-C Carboline derivatives ICOS CORP (US) 2001-06-13 CN disclosed
CN-1218471-A Carboline derivatives ICOS CORP (US) 1999-06-02 CN disclosed
US-4087598-A Mercurated polymers, method for their preparation and polymers produced therefrom CESKOSLOVENSKA AKADEMIE VED (CS) 1978-05-02 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-20040110975-A1 2-(2-phosphinoethyl)phospholanes and transition metal complexes with such ligands in asymmetric hydrogenation reactions; phospholone intermediates CCRL2, LUC7L2, CDKL1 HSD17B10 1232/4885BRD4 3602/4885POLB 2673/4885
US-20230114794-A1 METAL COMPLEX, INTERMEDIATE, AND PREPARATION METHOD AND APPLICATION THEREOF AP2M1, AP3M1, AP1M1 HSD17B10 1478/4885BRD4 2287/4885POLB 914/4885

“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.