SCHEMBL25514965

SCHEMBL25514965

O=C(OCC1COC2(OC1)C1CC3CC(C1)CC2C3)C12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(O)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TSHR P16473 2/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL19601028 0.85 CYP17A1 (0.38) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL25514964 0.84 ALDH1A1 (0.32) TSHRABL1RIN1MEN1KMT2A
SCHEMBL19601020 0.80 TSHR (0.47) NPC1RAB9ATSHRABL1RIN1
SCHEMBL26011499 0.78 CYP17A1 (0.35) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL19601024 0.77 CYP17A1 (0.45) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL26061891 0.74 ALDH1A1 (0.46) NPC1RAB9ATSHRABL1RIN1
SCHEMBL26011494 0.74 NPSR1 (0.40) NPC1RAB9ATSHRABL1RIN1
SCHEMBL26063617 0.74 MEN1 (0.30) MEN1KMT2AALDH1A1
SCHEMBL19601027 0.74 ALDH1A1 (0.34) TSHRMEN1KMT2ANPSR1ALDH1A1
SCHEMBL25494127 0.73 ALDH1A1 (0.30) TSHRABL1RIN1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230161243-A1 SALT, ACID GENERATOR, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-25 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 (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-20230161243-A1 SALT, ACID GENERATOR, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN RER1, ASIC1, REN NPC1 3257/4885RAB9A 794/4885TSHR 2717/4885

“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.