Sugi Predict

Sugi Predict / Compounds / SCHEMBL3098283

SCHEMBL3098283

SCHEMBL3098283

O=C(CC(O)CCc1ccccc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.82
▸ MMP12 P39900 5/20 0.58
▸ MMP13 P45452 4/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ MMP14 P50281 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ TRPA1 O75762 2/20 0.50
▸ HPGD P15428 2/20 0.49
▸ CTSG P08311 1/20 0.47
▸ CTRB1 P17538 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 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
SCHEMBL7056679 1.00 DPP4 (0.82) DPP4MMP12MMP13MMP2MMP9
SCHEMBL29359947 0.90 DPP4 (1.00) DPP4MMP12MMP13MMP2MMP9
SCHEMBL29141353 0.88 DPP4 (0.66) DPP4MMP12MMP13MMP2MMP9
SCHEMBL27613473 0.84 NPC1 (0.61) DPP4MMP12MMP13MMP2MMP9
SCHEMBL4745347 0.83 MMP12 (0.80) DPP4MMP12MMP13MMP2MMP9
SCHEMBL8333817 0.83 MMP12 (0.80) DPP4MMP12MMP13MMP2MMP9
SCHEMBL687094 0.83 MMP12 (0.80) DPP4MMP12MMP13MMP2MMP9
SCHEMBL28575145 0.81 DPP4 (0.57) DPP4TDP1NPC1TSHRTRPA1
SCHEMBL3102740 0.81 TRPA1 (0.59) DPP4TDP1NPC1CASP3RAB9A
SCHEMBL6444313 0.80 MMP12 (0.60) DPP4MMP12MMP13MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1285263-C Application of compound 1, 5-diphenyl-3-hydroxy-1-pentanone in insecticidal pesticide UNIV SICHUAN (CN) 2006-11-22 — — CN claimed
CN-1843114-A Pesticide uses of compound 4-hydroxy sesquiterpene propyl ester UNIV SICHUAN (CN) 2006-10-11 — — CN claimed
CN-1714641-A Preparation and application of insecticidal active substance in stellera chamaejasme UNIV SICHUAN (CN) 2006-01-04 — — CN claimed
CN-106818753-B A kind of antiviral composition containing Chinese Stellera Root element and its application 佛山市盈辉作物科学有限公司 2018-08-31 — — CN disclosed
CN-107455373-A Application of the bactericidal composition of the element containing Chinese Stellera Root in apple tree canker is prevented and treated 惠州市支持网知识产权运营有限公司 2017-12-12 — — CN disclosed
CN-106818753-A A kind of antiviral composition containing Chinese Stellera Root element and its application 佛山市盈辉作物科学有限公司 2017-06-13 — — CN disclosed
CN-102302034-B Application of farnesol in stellera chamaejasme in preparing agent for killing armyworm UNIV XIHUA 2013-08-14 — — CN disclosed
CN-102524253-B Application of S-1,5- diphenyl-3-hydroxy-1-pentanone as agricultural bactericide SINOCHEM CORP 2013-08-14 — — CN disclosed
CN-102524253-A Application of S-1,5- diphenyl-3-hydroxy-1-pentanone as agricultural bactericide SINOCHEM CORP 2012-07-04 — — CN disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 — — US disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 — — US disclosed
WO-2009066008-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 — — WO disclosed
WO-2009066008-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 — — WO disclosed
CN-1331838-C Pesticide uses of compound 4-hydroxy sesquiterpene propyl ester UNIV SICHUAN (CN) 2007-08-15 — — CN disclosed
CN-1331838-C Pesticide uses of compound 4-hydroxy sesquiterpene propyl ester UNIV SICHUAN (CN) 2007-08-15 — — CN disclosed
CN-1285263-C Application of compound 1, 5-diphenyl-3-hydroxy-1-pentanone in insecticidal pesticide UNIV SICHUAN (CN) 2006-11-22 — — CN disclosed
CN-1285263-C Application of compound 1, 5-diphenyl-3-hydroxy-1-pentanone in insecticidal pesticide UNIV SICHUAN (CN) 2006-11-22 — — CN disclosed
CN-1843114-A Pesticide uses of compound 4-hydroxy sesquiterpene propyl ester UNIV SICHUAN (CN) 2006-10-11 — — CN disclosed
CN-1714641-A Preparation and application of insecticidal active substance in stellera chamaejasme UNIV SICHUAN (CN) 2006-01-04 — — CN disclosed
CN-1714641-A Preparation and application of insecticidal active substance in stellera chamaejasme UNIV SICHUAN (CN) 2006-01-04 — — CN 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-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY HSD17B11, HSD17B7, CYP19A1 DPP4 1946/4885MMP12 2359/4885MMP13 3711/4885

“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.