SCHEMBL22978664

SCHEMBL22978664

COC(=O)c1ccc2c(c1)[C@@H](O)CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MAP3K14 Q99558 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 5/20 0.43
CYP2C9 P11712 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL22978663 1.00 NPC1 (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29446210 1.00 NPC1 (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29653966 1.00 NPC1 (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28332237 0.89 MAP3K14 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4336968 0.89 MAP3K14 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4336961 0.89 MAP3K14 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL25671220 0.86 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL19647790 0.85 NPC1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30405829 0.84 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL803156 0.84 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066379-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME LLC (US) 2025-02-27 US disclosed
CN-118922422-A Antimalarial drugs 默沙东有限责任公司 2024-11-08 CN disclosed
EP-4444722-A1 ANTIMALARIAL AGENTS Merck Sharp & Dohme LLC (US) 2024-10-16 EP disclosed
US-20230355622-A1 METHODS OF CHEMOVACCINATION AGAINST PLASMODIUM INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-09 US disclosed
US-20230355622-A1 METHODS OF CHEMOVACCINATION AGAINST PLASMODIUM INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-09 US disclosed
US-20230355622-A1 METHODS OF CHEMOVACCINATION AGAINST PLASMODIUM INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-09 US disclosed
EP-4216957-A1 METHODS OF CHEMOVACCINATION AGAINST PLASMODIUM INFECTIONS Merck Sharp & Dohme LLC (US) 2023-08-02 EP disclosed
WO-2023107356-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME LLC (US) 2023-06-15 WO disclosed
WO-2023107356-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME LLC (US) 2023-06-15 WO disclosed
WO-2023102747-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME LLC (US) 2023-06-15 WO disclosed
WO-2023102747-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME LLC (US) 2023-06-15 WO disclosed
US-20220331321-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2022-10-20 US disclosed
EP-4013742-A1 ANTIMALARIAL AGENTS Merck Sharp & Dohme Corp. (US) 2022-06-22 EP disclosed
WO-2022066545-A1 METHODS OF CHEMOVACCINATION AGAINST PLASMODIUM INFECTIONS MERCK SHARP & DOHME CORP. (US) 2022-03-31 WO disclosed
WO-2021026884-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2021-02-18 WO disclosed
WO-2021027502-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2021-02-18 WO disclosed
WO-2021026884-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2021-02-18 WO 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 (3 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-20230355622-A1 METHODS OF CHEMOVACCINATION AGAINST PLASMODIUM INFECTIONS CTSL, PRCP, CPB1 NPC1 1843/4885RAB9A 733/4885MEN1 3828/4885
US-20220331321-A1 ANTIMALARIAL AGENTS CTSL, SERPINA3, SERPINB1 NPC1 887/4885RAB9A 1433/4885MEN1 2365/4885
US-20250066379-A1 ANTIMALARIAL AGENTS CTSL, PEPD, SERPINB1 NPC1 1011/4885RAB9A 1804/4885MEN1 2500/4885

“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.