SCHEMBL6131023

SCHEMBL6131023

O=C(O)c1ccc(OCCO)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 1/20 0.56
MRGPRX4 Q96LA9 6/20 0.54
TSHR P16473 1/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL18077305 0.92 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4
SCHEMBL337560 0.91 MRGPRX4 (0.58) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4
SCHEMBL177169 0.85 THRA (0.56) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4
SCHEMBL4687860 0.85 MRGPRX4 (0.46) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4
SCHEMBL566426 0.84 THRA (0.62) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4
SCHEMBL566466 0.84 THRA (0.66) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4
SCHEMBL13125267 0.84 MRGPRX4 (0.54) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4
SCHEMBL9622885 0.84 PLAU (0.62) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4
SCHEMBL9623589 0.84 PKM (0.60) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4
SCHEMBL28383737 0.84 THRA (0.49) NPC1RAB9ASMN1; SMN2HPGDMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEWYORK 2023-12-28 US disclosed
EP-4217355-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 Forkhead Biotherapeutics, inc. (US) 2023-08-02 EP disclosed
WO-2022066938-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FORKHEAD BIOTHERAPEUTICS, INC. (US) 2022-03-31 WO disclosed
US-6927008-B2 Photosensitive transfer material FUJI PHOTO FILM CO., LTD. (JP) 2005-08-09 US disclosed
US-20040106061-A1 Photosensitive transfer material FUJI PHOTO FILM CO., LTD. 2004-06-03 US disclosed
WO-2001029014-A1 ISOTHIAZOLE-5-CARBOXYLIC ESTERS AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-04-26 WO disclosed
EP-0056153-B1 PROCESS FOR PRODUCING COMPOUNDS HAVING S-TRIAZINE UNITS AND EPOXY GROUPS, AND THEIR USES AS INCORPORABLE FILLING MATERIALS IN THE PRODUCTION OF POLYURETHANE PLASTIC MATERIALS BAYER AG (DE) 1985-12-04 EP disclosed
US-4384102-A Process for the preparation of compounds having s-triazine units and epoxide groups BAYER AKTIENGESELLSCHAFT (DE) 1983-05-17 US disclosed
EP-0056153-A2 Process for producing compounds having s-triazine units and epoxy groups, and their uses as incorporable filling materials in the production of polyurethane plastic materials BAYER AG (DE) 1982-07-21 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 (1 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-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FOXO1, FOXO3, GCKR NPC1 1891/4885RAB9A 1754/4885SMN1; SMN2 495/4885

“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.