Sugi Predict

Sugi Predict / Compounds / SCHEMBL1784243

SCHEMBL1784243

SCHEMBL1784243

CCC/C(C)=C/CCC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ FNTA P49354 3/20 0.42
▸ FNTB P49356 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ UGT1A1 P22309 1/20 0.41
▸ SQLE Q14534 1/20 0.40
▸ TRPA1 O75762 1/20 0.39

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
SCHEMBL1784245 1.00 KMT2A (0.46) KMT2AKDM4EATMFNTAFNTB
SCHEMBL25232929 0.98 KMT2A (0.50) KMT2AKDM4EATMFNTAFNTB
SCHEMBL11652149 0.98 KMT2A (0.50) KMT2AKDM4EATMFNTAFNTB
SCHEMBL25236755 0.98 KMT2A (0.50) KMT2AKDM4EATMFNTAFNTB
SCHEMBL1783917 0.86 KDM1A (0.47) KMT2AKDM4EATMFNTAFNTB
SCHEMBL1783919 0.86 KDM1A (0.47) KMT2AKDM4EATMFNTAFNTB
SCHEMBL8020473 0.85 ALDH1A1 (0.53) KMT2AKDM4EATMFNTAFNTB
SCHEMBL10899276 0.85 KDM1A (0.46) KMT2AATMPOLBKDM1AMAPT
SCHEMBL11553059 0.85 KDM1A (0.50) KMT2AKDM4EATMFNTAFNTB
SCHEMBL10899279 0.85 KDM1A (0.46) KMT2AATMPOLBKDM1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2904080-B1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS BV (NL) 2018-12-12 — — EP claimed
CN-104704097-B Flavor and fragrance formulation (IV) 帝斯曼知识产权资产管理有限公司 2021-03-09 — — CN disclosed
CN-104704096-B Flavor and fragrance formulation (II) 帝斯曼知识产权资产管理有限公司 2020-09-29 — — CN disclosed
CN-104704094-B Flavor and fragrance formulation (III) 帝斯曼知识产权资产管理有限公司 2020-06-23 — — CN disclosed
US-10640460-B2 Substituted cyclopentyl- and cyclohexyl-derivatives useful for perfumery GIVAUDAN SA (CH) 2020-05-05 — — US disclosed
EP-3386940-B1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY GIVAUDAN SA (CH) 2019-10-16 — — EP disclosed
EP-2904080-B1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS BV (NL) 2018-12-12 — — EP disclosed
EP-2904076-B1 FLAVOR AND FRAGRANCE FORMULATION (III) DSM IP ASSETS BV (NL) 2018-12-12 — — EP disclosed
US-20180346412-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY GIVAUDAN SA (CH) 2018-12-06 — — US disclosed
EP-3386940-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY Givaudan S.A. (CH) 2018-10-17 — — EP disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 — — US disclosed
US-20100204083-A1 PROCESS FOR THE PREPARATION OF ETHYLGERANONITRILE BASF SE (DE) 2010-08-12 — — US disclosed
US-20100166918-A1 NUTRACEUTICALS CONTAINING NITRO FATTY ACIDS COMPLEXA, INC. 2010-07-01 — — US disclosed
EP-2173704-A2 PROCESS FOR THE PREPARATION OF ETHYLGERANONITRILE BASF SE (DE) 2010-04-14 — — EP disclosed
US-20090326070-A1 VINYL SUBSTITUTED FATTY ACIDS COMPLEXA INC. (US) 2009-12-31 — — US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 — — WO disclosed
WO-2009013199-A2 PROCESS FOR THE PREPARATION OF ETHYLGERANONITRILE BASF SE (DE) 2009-01-29 — — WO disclosed
EP-0175427-A1 Synthesis of dioxabicyclo[3.2.1]octanes ORTHO PHARMACEUTICAL CORPORATION (US) 1986-03-26 — — EP disclosed
EP-0045631-A2 Synthesis of dioxabicyclo(3.2.1)octanes and oxepanes ORTHO PHARMACEUTICAL CORPORATION (US) 1982-02-10 — — EP disclosed
US-4276216-A Synthesis of dioxabicyclo[3.2.1]octanes and oxepanes ORTHO PHARMACEUTICAL CORPORATION (US) 1981-06-30 — — 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 (5 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-10640460-B2 Substituted cyclopentyl- and cyclohexyl-derivatives useful for perfumery C5, ACLY, CBR3 KMT2A 3624/4885KDM4E 2293/4885ATM 3392/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 KMT2A 3562/4885KDM4E 3549/4885ATM 2813/4885
US-20180346412-A1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY C5, ACLY, CBR3 KMT2A 3624/4885KDM4E 2293/4885ATM 3392/4885
US-20100204083-A1 PROCESS FOR THE PREPARATION OF ETHYLGERANONITRILE CYP51A1, ESD, CYP3A4 KMT2A 3669/4885KDM4E 997/4885ATM 2108/4885
US-20090326070-A1 VINYL SUBSTITUTED FATTY ACIDS FFAR2, ELOVL1, FFAR4 KMT2A 2230/4885KDM4E 3339/4885ATM 3750/4885

“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.