SCHEMBL13689271

SCHEMBL13689271

CC(C)C(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.66
▸ HDAC8 Q9BY41 1/20 0.58
▸ PTGS1 P23219 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ERCC5 P28715 1/20 0.54
▸ FEN1 P39748 1/20 0.54
▸ BCL2 P10415 1/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ ALOX5 P09917 1/20 0.52
▸ TNKS O95271 1/20 0.51
▸ PARP15 Q460N3 1/20 0.51
▸ PARP14 Q460N5 1/20 0.51
▸ PARP10 Q53GL7 1/20 0.51
▸ TNKS2 Q9H2K2 1/20 0.51
▸ PARP2 Q9UGN5 1/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL10731484 0.87 AKR1C3 (0.62) AKR1C3HDAC8PTGS1ALDH1A1LMNA
SCHEMBL10839698 0.87 AKR1C3 (0.62) AKR1C3HDAC8PTGS1ALDH1A1LMNA
SCHEMBL10825923 0.84 AKR1C3 (0.68) AKR1C3HDAC8PTGS1ALDH1A1LMNA
SCHEMBL2625197 0.84 BCL2 (0.61) PTGS1ALDH1A1SMN1; SMN2ERCC5FEN1
SCHEMBL7427631 0.82 CES2 (0.67) SMN1; SMN2NPC1MEN1KMT2ARAB9A
SCHEMBL12667381 0.82 KMT2A (0.58) ALDH1A1LMNASMN1; SMN2PARP10NPC1
SCHEMBL8767835 0.81 AKR1C3 (0.64) AKR1C3HDAC8PTGS1ALDH1A1LMNA
SCHEMBL14519864 0.81 LMNA (0.58) ALDH1A1LMNASMN1; SMN2NPC1MEN1
SCHEMBL2350424 0.80 AKR1C3 (0.72) AKR1C3HDAC8PTGS1ALDH1A1LMNA
SCHEMBL8248607 0.80 ALDH1A1 (0.72) AKR1C3HDAC8PTGS1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 — — US disclosed
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 — — US disclosed
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 — — US disclosed
US-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 — — US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 — — US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 — — US disclosed
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 — — US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 — — 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 (4 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-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 AKR1C3 227/4885HDAC8 1467/4885PTGS1 3824/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 AKR1C3 3302/4885HDAC8 389/4885PTGS1 1886/4885
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 AKR1C3 3307/4885HDAC8 3608/4885PTGS1 2194/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 AKR1C3 235/4885HDAC8 1164/4885PTGS1 3340/4885

“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.

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