SCHEMBL5231718

SCHEMBL5231718

CC(C)C(=O)C=Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.61
▸ GLA P06280 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.59
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ PLIN1 O60240 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ RECQL P46063 2/20 0.59
▸ PLIN5 Q00G26 2/20 0.59
▸ ABHD5 Q8WTS1 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ TNKS O95271 1/20 0.59
▸ HCAR2 Q8TDS4 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59

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
SCHEMBL2622483 1.00 TDP1 (0.61) TDP1GLAALDH1A1HDAC3HDAC4
Chalcone SCHEMBL7008520 0.89 CYP1B1 (0.73) TDP1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL2622484 0.89 HDAC2 (0.59) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL5598797 0.88 TDP1 (0.61) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL5598795 0.88 TDP1 (0.61) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL13689262 0.86 HDAC3 (0.58) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL27727863 0.86 TDP1 (0.59) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL8349461 0.85 HDAC3 (0.56) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL3308815 0.84 TDP1 (0.57) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL3308818 0.84 TDP1 (0.57) TDP1GLAALDH1A1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108976223-A Fused tricyclic class compound and its application in drug 广东东阳光药业有限公司 2018-12-11 — — CN disclosed
EP-2599765-B1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN UNIV EAST CHINA NORMAL (CN) 2016-03-02 — — EP disclosed
US-8748669-B2 Process for producing aldehydes or ketones by oxidizing alcohols with oxygen EAST CHINA NORMAL UNIVERSITY (CN) 2014-06-10 — — US disclosed
EP-2599765-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN East China Normal University (CN) 2013-06-05 — — EP disclosed
US-20120220792-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2012-08-30 — — US disclosed
EP-1439001-B1 Process for producing optically active epoxides TOSOH CORP (JP) 2007-07-25 — — EP disclosed
EP-1127616-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2006-05-31 — — EP disclosed
EP-1366815-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2005-12-28 — — EP disclosed
US-6878835-B2 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2005-04-12 — — US disclosed
EP-1439001-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2004-07-21 — — EP disclosed
US-6680275-B2 COMPLEX OF OPTICALLY ACTIVE BINAPHTHOL, LANTHANUM TRIISOPROPOXIDE OXIDE, TRIPHENYLPHOSPHINE OXIDE AND CUMENE OR TERT-BUTYL HYDROPEROXIDE; OPTICAL PURITY; REACTIVITY; STABILITY TOSOH CORPORATION (JP) 2004-01-20 — — US disclosed
US-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2001-12-13 — — US disclosed
EP-1127616-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2001-08-29 — — EP disclosed
US-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 — — US disclosed
US-5072023-A Reacting lactone with ester anion to form cyclohexenone ester; oxidizing or dehydrogenating the intermediate E. R. SQUIBB & SONS, INC. (US) 1991-12-10 — — US disclosed
EP-0442495-A1 Process for preparing highly substituted phenyls E.R. SQUIBB & SONS, INC. (US) 1991-08-21 — — EP disclosed
EP-0004624-B1 CHROMANON DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICINES AND GROWTH-PROMOTING AGENTS BAYER AG (DE) 1982-02-24 — — EP disclosed
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 — — US disclosed
EP-0004624-A2 Chromanon derivatives, process for their preparation, and their use as medicines and growth-promoting agents BAYER AG (DE) 1979-10-17 — — EP disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 — — 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 (2 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-20120220792-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN ADH1C, NOX4, NOX1 TDP1 2582/4885GLA 4251/4885ALDH1A1 169/4885
US-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it SQLE, ENO1, GPX4 TDP1 3343/4885GLA 1549/4885ALDH1A1 1798/4885

“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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