SCHEMBL5381503

SCHEMBL5381503

OCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
RECQL P46063 1/20 0.65
LSS P48449 1/20 0.59
HDAC1 Q13547 7/20 0.57
HDAC2 Q92769 7/20 0.57
HDAC3 O15379 6/20 0.57
HDAC4 P56524 6/20 0.57
HDAC7 Q8WUI4 6/20 0.57
HDAC10 Q969S8 6/20 0.57
HDAC11 Q96DB2 6/20 0.57
HDAC8 Q9BY41 6/20 0.57
HDAC6 Q9UBN7 6/20 0.57
HDAC9 Q9UKV0 6/20 0.57
HDAC5 Q9UQL6 6/20 0.57
GAA P10253 1/20 0.55
HRH3 Q9Y5N1 4/20 0.54
MMP3 P08254 1/20 0.54
KCNA3 P22001 1/20 0.54
HRH1 P35367 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
Propane SCHEMBL27835119 0.94 LSS (0.59) ALDH1A1RECQLLSSHDAC1HDAC2
SCHEMBL2838769 0.94 ALDH1A1 (0.63) ALDH1A1RECQLLSSHDAC1HDAC2
SCHEMBL22266168 0.93 ALDH1A1 (0.57) ALDH1A1RECQLLSSHDAC1HDAC2
SCHEMBL1007158 0.92 HDAC1 (0.63) ALDH1A1RECQLLSSHDAC1HDAC2
SCHEMBL7364524 0.92 HDAC1 (0.63) ALDH1A1RECQLLSSHDAC1HDAC2
SCHEMBL6392367 0.92 HDAC1 (0.63) ALDH1A1RECQLLSSHDAC1HDAC2
SCHEMBL1533000 0.92 HDAC1 (0.63) ALDH1A1RECQLLSSHDAC1HDAC2
SCHEMBL29290455 0.92 HDAC1 (0.63) ALDH1A1RECQLLSSHDAC1HDAC2
SCHEMBL26981903 0.92 HDAC1 (0.63) ALDH1A1RECQLLSSHDAC1HDAC2
SCHEMBL28025846 0.92 HDAC1 (0.63) ALDH1A1RECQLLSSHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607400-B1 Fluorinated 17-beta substituted-4-aza-5-alpha- andostran-3one derivatives. PHARMACIA & UPJOHN SPA (IT) 1997-11-05 EP claimed
WO-2020241642-A1 CURED FILM FORMATION COMPOSITION, ALIGNMENT MEMBER, AND RETARDATION MEMBER 日産化学株式会社 2020-12-03 WO disclosed
US-10550241-B2 Polytrimethylene terephthalate composition, polyester fiber, and methods for producing the same TEIJIN FRONTIER CO., LTD. (JP) 2020-02-04 US disclosed
EP-3249012-B1 POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBERS, AND METHOD FOR PRODUCING SAME TEIJIN FRONTIER CO LTD (JP) 2019-08-21 EP disclosed
US-20180265667-A1 POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBER, AND METHODS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2018-09-20 US disclosed
EP-3249012-A1 POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBERS, AND METHOD FOR PRODUCING SAME Teijin Limited (JP) 2017-11-29 EP disclosed
WO-2011012560-A1 MACROPHOTOINITIATORS BASF SE (DE) 2011-02-03 WO disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP disclosed
US-5516918-A PLANT SAFTENING AGENTS USING BENZOPYRAN-4-ACETIC ACIDS OR BENZOTHIOPYRAN-4-ACETIC ACIDS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
CN-1112575-A Diaminobenzene derivatives and polyimides prepared therefrom NISSAN CHEMICAL IND LTD (JP) 1995-11-29 CN disclosed
EP-0679633-A1 Diaminobenzene derivatives and polyimides prepared therefrom NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-11-02 EP disclosed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US disclosed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP disclosed
US-5177108-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-05 US disclosed
US-5077315-A Treatment of HIV virus MERRELL DOW PHARMACEUTICALS (US) 1991-12-31 US disclosed
US-4939173-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-03 US disclosed
EP-0373587-A2 Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-20 EP 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 (1 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-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA ALDH1A1 2029/4885RECQL 2751/4885LSS 2207/4885

“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.