SCHEMBL757101

SCHEMBL757101

COc1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
PARP10 Q53GL7 2/20 0.57
PARP1 P09874 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
PARP4 Q9UKK3 1/20 0.57
MAPK1 P28482 3/20 0.56
HSD17B10 Q99714 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 3/20 0.55
PLK1 P53350 1/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
APEX1 P27695 1/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GSK3B P49841 1/20 0.52

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
SCHEMBL22548787 0.94 RAB9A (0.59) CES2CES1CA1CA2PARP10
SCHEMBL11529955 0.94 PARP10 (0.61) CES2CES1CA1CA2PARP10
SCHEMBL10458127 0.85 CES2 (0.59) CES2CES1CA1CA2PARP10
SCHEMBL7637140 0.85 CES2 (0.59) CES2CES1CA1CA2PARP10
SCHEMBL24813408 0.84 HPGD (0.58) PARP10PARP4RAB9AMAPTLMNA
SCHEMBL9559909 0.83 CA1 (0.59) CES2CES1CA1CA2PARP10
SCHEMBL10031827 0.83 PGR (0.47) CES2CES1CA2MAPK1LMNA
SCHEMBL4137247 0.83 KDM4E (0.66) CES2CES1HSD17B10RAB9AALDH1A1
SCHEMBL18660115 0.82 CES2 (0.55) CES2CES1CA1CA2PARP10
SCHEMBL5276595 0.81 ELANE (0.56) MAPTTDP1MEN1KMT2A

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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207355-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ANTICANCER EFFECT OF ANTICANCER DRUG L-Base Co., Ltd. (KR) 2024-06-27 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-11814372-B2 Agonists of EPHA and their uses CASE WESTERN RESERVE UNIVERSITY (US) 2023-11-14 US disclosed
US-11814372-B2 Agonists of EPHA and their uses CASE WESTERN RESERVE UNIVERSITY (US) 2023-11-14 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230220384-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-07-13 US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER L-Base Co., Ltd. (KR) 2023-05-25 US disclosed
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER L-Base Co., Ltd. (KR) 2023-05-25 US disclosed
US-20220098585-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2022-03-31 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
WO-2007069777-A2 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-06-21 WO disclosed
EP-1776011-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-04-25 EP disclosed
WO-2006016708-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-02-16 WO disclosed
US-5573712-A PHOTOCHROMIC ARTICLE COMPRISING ORGANIC HOST AND THE PHOTOCHROMIC NAPHTHOPYRAN TRANSITIONS OPTICAL, INC. (US) 1996-11-12 US disclosed
US-5458814-A Ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO disclosed
US-4935510-A Thiation process ETHYL CORPORATION (US) 1990-06-19 US disclosed
US-4663452-A Thiation process ETHYL CORPORATION (US) 1987-05-05 US disclosed
US-4043790-A 2-OR 4-SUBSTITUTED PYRIDINE METHANE OR PYRIDINE METHANOL, NONHERBICIDAL ELI LILLY AND COMPANY (US) 1977-08-23 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 CES2 3614/4885CES1 1784/4885CA1 4391/4885
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER VIP, QPCT, TPT1 CES2 4869/4885CES1 3055/4885CA1 2893/4885
US-20240207355-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ANTICANCER EFFECT OF ANTICANCER DRUG ALPG, SLC11A2, SGTA CES2 4879/4885CES1 4726/4885CA1 2208/4885
US-11814372-B2 Agonists of EPHA and their uses EPHA2, EPHA7, EPHA1 CES2 2431/4885CES1 1153/4885CA1 2491/4885

“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.