SCHEMBL17548716

SCHEMBL17548716

CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)O1)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
ABL1 P00519 1/20 0.36
TSHR P16473 1/20 0.36
RIN1 Q13671 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL17548711 0.92 MEN1 (0.33) ALDH1A1TSHRNPSR1POLBGAA
SCHEMBL17550529 0.89 ALDH1A1 (0.38) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL26061879 0.86 ALDH1A1 (0.45) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL17548720 0.86 MEN1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL16941817 0.86
SCHEMBL17548707 0.85 ALDH1A1 (0.38) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL26061957 0.85 ALDH1A1 (0.43) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL17548719 0.84 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL19601017 0.84 ALDH1A1 (0.46) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL16941820 0.84

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-9760005-B2 Salt, acid generator, resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
US-20160062233-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-03 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-20160062233-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN XDH, HAX1, MLX ALDH1A1 2530/4885ABL1 176/4885TSHR 1441/4885

“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.