Sugi Predict

Sugi Predict / Compounds / SCHEMBL726033

SCHEMBL726033

SCHEMBL726033

CCCCCC1CC1CCCCC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.46
▸ EPHX1 P07099 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP1A2 P05177 4/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GBA1 P04062 3/20 0.34
▸ NOS3 P29474 2/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ SPHK1 Q9NYA1 2/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33

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
SCHEMBL18657390 0.97 ALOX5 (0.65) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL18685663 0.97 ALOX5 (0.65) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL29971764 0.97 ALOX5 (0.65) ALOX5ALDH1A1EPHX1TSHRTHRB
Methylamine SCHEMBL27734108 0.94 ALOX5 (0.57) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL31453498 0.94 ALOX5 (0.57) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL31453500 0.94 ALOX5 (0.57) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL31453497 0.92 ALOX5 (0.61) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL16411469 0.92 ALOX5 (0.55) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL14863743 0.89 ALOX5 (0.59) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL16656311 0.87 ALOX5 (0.52) ALOX5ALDH1A1EPHX1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115896821-A Electrically promoting CO 2 Method for synthesizing diacid compound by participating in ring-opening double-carboxylation reaction of small ring compound 四川大学 2023-04-04 — — CN disclosed
EP-1988587-B1 Oxocarbon, pseudo oxocarbon and radialene compounds and their use NOVALED GMBH (DE) 2016-12-07 — — EP disclosed
CN-101828552-B Methods of blocking ethylene response in plants using cyclopropene derivatives UNIV NORTH CAROLINA STATE 2014-09-24 — — CN disclosed
US-8158803-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 — — US disclosed
EP-2421831-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-29 — — EP disclosed
CN-1450859-B Method for blocking ethylene response in plants using cyclopropene derivatives UNIV NORTH CAROLINA STATE 2011-08-03 — — CN disclosed
WO-2010122082-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 — — WO disclosed
US-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LEE EUN KYUNG 2010-10-28 — — US disclosed
CN-101828552-A Method with the cyclopropene derivatives blocking ethylene response in plants UNIV NORTH CAROLINA STATE 2010-09-15 — — CN disclosed
US-7660677-B2 Method of designing physiologically active peptide and use thereof Tanuma, Sei-ichi (JP) 2010-02-09 — — US disclosed
US-6569894-B1 Such as N-(3-(2-(4-phenylbutyl)-2,3-dihydrobenzofuran-4-yl)propyl)acetamide for treating circadian rhythm-related disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 — — US disclosed
US-20030054332-A1 Markers for evaluating estrogenic activity BARBOSA MIGUEL S (US) 2003-03-20 — — US disclosed
WO-2002093124-A2 MARKERS FOR EVALUATING ESTROGENIC ACTIVITY SIGNAL PHARMACEUTICALS, INC. (US) 2002-11-21 — — WO disclosed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 — — EP disclosed
US-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 — — US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 — — US disclosed
US-5663207-A ADMINISTERING TO INHIBIT DEVELOPMENT OF BREAST TUMOR RESEARCH CORPORATION TECHNOLOGIES (US) 1997-09-02 — — US disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 — — EP disclosed
US-5397802-A Gem-dichlorocyclopropanes as antitumor agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-14 — — US disclosed
US-4133821-A Alkylidenediquinocyclopropanes and Diarylcyclopropenes and method for preparation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1979-01-09 — — 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 (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-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, RRM2B ALOX5 3133/4885ALDH1A1 756/4885EPHX1 2204/4885

“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.