SCHEMBL3764155

SCHEMBL3764155

Cc1cccc(C(=O)C(O)c2cccc(C)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.60
CES1 P23141 3/20 0.60
LMNA P02545 1/20 0.53
PARP1 P09874 1/20 0.52
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
CHRND Q07001 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNH2 Q12809 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45

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
SCHEMBL11587933 0.91 CES2 (0.67) CES2CES1LMNAPARP1SLC6A2
SCHEMBL11587930 0.91 CES2 (0.67) CES2CES1LMNAPARP1HDAC8
Hydrochloric Acid SCHEMBL11477585 0.82 NPC1 (0.48) CES2CES1LMNASMN1; SMN2MEN1
SCHEMBL7087796 0.81 CES2 (0.45) CES2CES1LMNAPARP1SLC6A2
SCHEMBL25247146 0.81 PARP1 (0.59) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL17762880 0.81 PARP1 (0.50) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL1305879 0.79 SLC6A2 (0.57) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL15007483 0.79 SLC6A2 (0.57) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL31407019 0.79 LMNA (0.59) LMNAPARP1SMN1; SMN2HPGDACP3
SCHEMBL2164471 0.79 LMNA (0.59) LMNAPARP1SMN1; SMN2HPGDACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844051-B2 Substituted oxazoles for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY 2020-11-24 US disclosed
US-20200269323-A1 SYNTHESIS OF ULTRA-THIN METAL NANOWIRES USING ORGANIC FREE RADICALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-27 US disclosed
EP-3463723-A1 SYNTHESIS OF ULTRA-THIN METAL NANOWIRES USING ORGANIC FREE RADICALS The Regents of The University of California (US) 2019-04-10 EP disclosed
US-10059700-B2 Supported catalyst for aldehyde coupling reaction , method for performing aldehyde coupling reaction, and method for regenerating supported catalyst for aldehyde coupling reaction SEKISUI CHEMICAL CO., LTD. (JP) 2018-08-28 US disclosed
US-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-07-26 US disclosed
WO-2017011920-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-01-26 WO disclosed
WO-2016195115-A1 SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION, METHOD FOR PERFORMING ALDEHYDE COUPLING REACTION, AND METHOD FOR REGENERATING SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION SEKISUI CHEMICAL CO., LTD. (JP) 2016-12-08 WO disclosed
US-20160346774-A1 SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION , METHOD FOR PERFORMING ALDEHYDE COUPLING REACTION, AND METHOD FOR REGENERATING SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION SEKISUI CHEMICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO disclosed
US-4263311-A ANTIARTHRITIC AGENTS SMITHKLINE CORPORATION (US) 1981-04-21 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 (5 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-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS VHL, TP53, CD44 CES2 915/4885CES1 1052/4885LMNA 1482/4885
US-20160346774-A1 SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION , METHOD FOR PERFORMING ALDEHYDE COUPLING REACTION, AND METHOD FOR REGENERATING SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION ALDH2, ALDH7A1, ALDH3A1 CES2 1248/4885CES1 2376/4885LMNA 4649/4885
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 CES2 1387/4885CES1 4295/4885LMNA 1038/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 CES2 2724/4885CES1 2495/4885LMNA 4635/4885
US-10059700-B2 Supported catalyst for aldehyde coupling reaction , method for performing aldehyde coupling reaction, and method for regenerating supported catalyst for aldehyde coupling reaction ALDH2, ALDH7A1, ALDH3A1 CES2 1248/4885CES1 2376/4885LMNA 4649/4885

“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.