SCHEMBL19863257

SCHEMBL19863257

COc1cc(C)cc(C(=O)C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.49
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NQO2 P16083 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
TPMT P51580 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8780285 0.88 ABCG2 (0.59) ABCG2NPC1RAB9ACYP1A1CYP1A2
Water SCHEMBL8629577 0.86 ABCG2 (0.58) ABCG2NPC1RAB9ACYP1A1CYP1A2
Water SCHEMBL8628497 0.86 ABCG2 (0.58) ABCG2NPC1RAB9ACYP1A1CYP1A2
SCHEMBL1483207 0.82 TPMT (0.54) ATMMEN1KMT2ATPMTALDH1A1
SCHEMBL7868139 0.81 ABCG2 (0.49) ABCG2MAOBTPMTALDH1A1KDM4E
SCHEMBL11914196 0.79 ALDH1A1 (0.46) ABCG2NPC1RAB9AATMMEN1
SCHEMBL12020820 0.79 LMNA (0.48) ABCG2NPC1RAB9AATMMEN1
SCHEMBL6738707 0.79 TPMT (0.64) MEN1KMT2ACES2CES1TPMT
SCHEMBL12430488 0.78 PLK1 (0.56) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL19828394 0.77 PARP1 (0.56) NPC1RAB9AATMMEN1KMT2A

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 ABCG2 101/4885NPC1 3184/4885RAB9A 2502/4885

“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.