SCHEMBL20094737

SCHEMBL20094737

CCCOc1cc(O)c2c(c1)OC(O)(c1ccc(OCc3ccccc3)cc1)CC2=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.81
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAOB P27338 2/20 0.45
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
MAOA P21397 1/20 0.40
EDNRB P24530 1/20 0.40

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
SCHEMBL20094731 0.92 RIPK1 (0.84) RIPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL20094733 0.89 RIPK1 (1.00) RIPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL20094738 0.80 RIPK1 (0.82) RIPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6565166 0.77 RIPK1 (0.78) RIPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6528998 0.73 RIPK1 (0.59) RIPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL29406513 0.70 RAB9A (0.54) RIPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL9152696 0.70 RAB9A (0.54) RIPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL27921364 0.70 MAOB (0.64) RIPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL38656303 0.70 ALDH1A1 (0.58) RIPK1KDM4EALDH1A1GAAHPGD
SCHEMBL4057023 0.69 CHRNA7 (0.65) RAB9ALMNASMN1; SMN2GAAMAPT

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
US-11819492-B2 Natural product derivatives for inhibiting cellular necroptosis, ferroptosis and oxytosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-11-21 US disclosed
US-11819492-B2 Natural product derivatives for inhibiting cellular necroptosis, ferroptosis and oxytosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-11-21 US disclosed
US-20220096426-A1 Natural Product Derivatives For Inhibiting Cellular Necroptosis, Ferroptosis And Oxytosis SATT OUEST VALORISATION (FR) 2022-03-31 US disclosed
US-11224586-B2 Natural product derivatives for inhibiting cellular necroptosis, ferroptosis and oxytosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-01-18 US disclosed
US-20190262306-A1 Natural Product Derivatives For Inhibiting Cellular Necroptosis, Ferroptosis And Oxytosis SORBONNE UNIVERSITE (FR) 2019-08-29 US disclosed
WO-2018073321-A1 NATURAL PRODUCT DERIVATIVES FOR INHIBITING CELLULAR NECROPTOSIS, FERROPTOSIS AND OXYTOSIS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-04-26 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 (4 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-11819492-B2 Natural product derivatives for inhibiting cellular necroptosis, ferroptosis and oxytosis AIFM2, AIFM1, CASP3 RIPK1 18/4885RAB9A 3335/4885NPC1 510/4885
US-11224586-B2 Natural product derivatives for inhibiting cellular necroptosis, ferroptosis and oxytosis AIFM2, AIFM1, CASP3 RIPK1 17/4885RAB9A 3343/4885NPC1 513/4885
US-20190262306-A1 Natural Product Derivatives For Inhibiting Cellular Necroptosis, Ferroptosis And Oxytosis AIFM2, AIFM1, CASP3 RIPK1 17/4885RAB9A 3343/4885NPC1 513/4885
US-20220096426-A1 Natural Product Derivatives For Inhibiting Cellular Necroptosis, Ferroptosis And Oxytosis AIFM2, AIFM1, CASP3 RIPK1 18/4885RAB9A 3335/4885NPC1 510/4885

“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.