SCHEMBL1546852

SCHEMBL1546852

O=C(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.58
CES1 P23141 5/20 0.58
LMNA P02545 2/20 0.57
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MDM2 Q00987 2/20 0.44
BRD4 O60885 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SRD5A2 P31213 1/20 0.43
GSK3B P49841 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL20576195 0.92 MAPK1 (0.57) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL6201307 0.91 CES2 (0.58) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL10392118 0.91 CES2 (0.54) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL142538 0.90 CES2 (0.74) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL29989494 0.90 CES2 (0.74) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL142537 0.90 CES2 (0.74) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL11484197 0.88 CES2 (0.59) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL11484209 0.88 CES2 (0.59) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL5444947 0.86 HPGD (0.62) CES2CES1ALDH1A1MAPTMDM2
SCHEMBL7090969 0.86 AKR1C3 (0.49) CES2CES1LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740547-A Aromatic polysulfone thermoplastics protected from discoloration during thermal processing BORG-WARNER CHEMICALS, INC. (US) 1988-04-26 US claimed
US-4740548-A Polyimide thermoplastic protected from discoloration during thermal processing BORG-WARNER CHEMICALS, INC. (US) 1988-04-26 US claimed
US-4695601-A A-HYDROXYKETONE BORG-WARNER CHEMICALS, INC. (US) 1987-09-22 US claimed
US-4130567-A Process for the preparation of aryl dioxolanes SUN CHEMICAL CORPORATION (US) 1978-12-19 US claimed
JP-58132589-A None JP disclosed
JP-4063801-A None JP disclosed
WO-2023070903-A1 AROMATIC ALDEHYDE CONDENSATION METHOD 台州学院 2023-05-04 WO disclosed
CN-110452148-B Method for synthesizing polysubstituted pyrrole compound by utilizing alpha-hydroxy ketone, malononitrile and alcohol 华南理工大学 2023-02-14 CN disclosed
CN-113896622-A Condensation method of aromatic aldehyde 台州学院 2022-01-07 CN disclosed
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-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
US-4130567-A Process for the preparation of aryl dioxolanes SUN CHEMICAL CORPORATION (US) 1978-12-19 US disclosed
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-4028412-A BENZOIN OXIMES FOR COPPER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-06-07 US disclosed
US-4014889-A Process for preparing ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed
US-4013643-A N,N-DISUBSTITUTED 2,3-DIPHENYLALLYLAMINES G. D. SEARLE & CO. (US) 1977-03-22 US disclosed
US-4007209-A OF BENZOINS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-02-08 US disclosed
US-3937722-A PHOTOSENSITIZERS, IRRADIATION POLYMERIZATION, CROSSLINKING BAYER AG (DT) 1976-02-10 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 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 (3 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-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.