SCHEMBL19863248

SCHEMBL19863248

CC(C(=O)c1ccc2ccc3ccccc3c2c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.46
GFER P55789 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CTSG P08311 1/20 0.42
ACP3 P15309 1/20 0.42
CMA1 P23946 1/20 0.42
PLA2G2D Q9UNK4 1/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 2/20 0.41
TP53 P04637 1/20 0.41
RAD52 P43351 1/20 0.41
KCNJ11 Q14654 4/20 0.40
CYP1B1 Q16678 2/20 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
SCHEMBL19863239 0.86 KDM4E (0.52) ALDH1A1MAPTHPGDCTSGACP3
SCHEMBL19863244 0.78 NR4A1 (0.52) ALDH1A1CYP1A2CYP2C9MAPTHPGD
SCHEMBL2201172 0.75 CES1 (0.48) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL28100961 0.74 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9MAPTHPGD
SCHEMBL30301801 0.73 ALDH1A1 (0.82) ALDH1A1CYP1A2MAPTHPGDCASP3
SCHEMBL50671 0.73 ALDH1A1 (0.82) ALDH1A1CYP1A2MAPTHPGDCASP3
Hydrochloric Acid SCHEMBL5819903 0.73 CES1 (0.47) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL19863252 0.72 SMN1; SMN2 (0.53) ALDH1A1MAPTHPGDKDM4E
SCHEMBL19863243 0.72 KMO (0.51) MAPTGAATDP1
SCHEMBL19245660 0.71 KDM4E (0.54) ALDH1A1MAPTHPGDCTSGACP3

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-9983475-B2 Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-29 US disclosed
US-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 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-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS PFAS, PLG, PPARG ALDH1A1 888/4885CYP1A2 803/4885CYP2C9 353/4885

“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.