SCHEMBL22115807

SCHEMBL22115807

Cl[Pd]Cl.O=P(CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPT P10636 3/20 0.64
GAA P10253 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
ALPG P10696 1/20 0.64
ALOX12 P18054 1/20 0.64
NPY1R P25929 1/20 0.64
HTT P42858 1/20 0.64
NPY2R P49146 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.59
USP2 O75604 2/20 0.50
CFTR P13569 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL25239903 0.91 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL25286621 0.91 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2381086 0.90 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AMAPTGAA
Hydrogen Peroxide SCHEMBL8527081 0.87 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AMAPTGAA
Water SCHEMBL22228992 0.87 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3641455 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL8137569 0.81 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL5573059 0.81 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3322327 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4162470 0.80 ALDH1A1 (0.95) ALDH1A1MEN1KMT2AMAPTGAA

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
CN-117402324-A Method for rapidly synthesizing microporous organic network material by ultrasonic assistance 山东第一医科大学(山东省医学科学院) 2024-01-16 CN claimed
CN-117402324-A Method for rapidly synthesizing microporous organic network material by ultrasonic assistance 山东第一医科大学(山东省医学科学院) 2024-01-16 CN disclosed
US-11731965-B2 Tetrahydroprotoberberine compound, preparation method therefor and uses thereof, and pharmaceutical composition SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-08-22 US disclosed
EP-3978497-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-04-06 EP disclosed
US-20200255421-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION TOPHARMAN SHANGHAI CO., LTD. (CN) 2020-08-13 US disclosed
EP-3670511-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-06-24 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-20200255421-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION NOTUM, BHMT, CYP4F11 ALDH1A1 446/4885MEN1 964/4885KMT2A 3473/4885
US-11731965-B2 Tetrahydroprotoberberine compound, preparation method therefor and uses thereof, and pharmaceutical composition NOTUM, BHMT, CYP4F11 ALDH1A1 446/4885MEN1 964/4885KMT2A 3473/4885

“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.