SCHEMBL22221920

SCHEMBL22221920

c1ccc2c(c1)OCC(c1ccc3c(c1)CCC(c1ccc4c(c1)OCCO4)O3)S2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 4/20 0.46
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
KMT2A Q03164 2/20 0.38
DAO P14920 1/20 0.37
MEN1 O00255 1/20 0.35
SLC8A1 P32418 7/20 0.34
LTA4H P09960 1/20 0.32

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
SCHEMBL19301933 0.91 RAB9A (0.46) RAB9ANPC1ESR1ESR2KMT2A
SCHEMBL19301952 0.81 RAB9A (0.59) RAB9ANPC1ESR1ESR2KMT2A
SCHEMBL22221860 0.80 RAB9A (0.53) RAB9ANPC1ESR1ESR2KMT2A
SCHEMBL19492442 0.79 ALOX15 (0.47) RAB9ANPC1ESR1ESR2DAO
SCHEMBL24317806 0.77 RAB9A (0.45) RAB9ANPC1ESR1ESR2KMT2A
SCHEMBL24317809 0.76 RAB9A (0.46) RAB9ANPC1ESR1ESR2KMT2A
SCHEMBL24317254 0.74 DAO (0.34) DAO
SCHEMBL19841171 0.72 ALOX15B (0.44) RAB9ANPC1ESR1ESR2
SCHEMBL18896907 0.70 LTA4H (0.37) LTA4H
SCHEMBL19492455 0.70 ALOX15 (0.45) RAB9ANPC1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11077046-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20200222295-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES MED-PATHWAYS II LIMITED (VG) 2020-07-16 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-11077046-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles GLA, DGKG, DGKA RAB9A 2923/4885NPC1 4073/4885ESR1 4332/4885
US-20200222295-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA RAB9A 2923/4885NPC1 4073/4885ESR1 4332/4885

“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.