SCHEMBL18786015

SCHEMBL18786015

O=C(OCC(F)(F)S(=O)(=O)O)C1CCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.34
MDM2 Q00987 1/20 0.34
POLB P06746 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPT P10636 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
SCHEMBL18786010 1.00 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL18786011 1.00 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL18786012 1.00 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL18786008 1.00 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL7601284 1.00 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL18786009 1.00 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL3455098 0.98 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL12016473 0.98 ALDH1A1 (0.40) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL18785899 0.95 ALDH1A1 (0.36) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL18785904 0.91 L3MBTL1 (0.34) ALDH1A1MEN1KMT2ATSHRPOLB

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-20170115566-A1 RESIST COMPOSITION, PATTERNING PROCESS, AND BARIUM, CESIUM AND CERIUM SALTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-27 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-20170115566-A1 RESIST COMPOSITION, PATTERNING PROCESS, AND BARIUM, CESIUM AND CERIUM SALTS CASR, LIFR, LBR ALDH1A1 4520/4885ADRB2 2472/4885ADRB1 2593/4885

“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.