SCHEMBL6345547

SCHEMBL6345547

C=C(C)C1CCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.38
TLR4 O00206 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL14895102 0.98 KMT2A (0.48) MCL1CA1CA2CA4KMT2A
SCHEMBL14895365 0.98 KMT2A (0.48) MCL1CA1CA2CA4KMT2A
SCHEMBL14895507 0.98 KMT2A (0.48) MCL1CA1CA2CA4KMT2A
SCHEMBL14895250 0.98 KMT2A (0.48) MCL1CA1CA2CA4KMT2A
SCHEMBL6353877 0.93
SCHEMBL7981400 0.82 CA1 (0.50) MCL1CA1CA2CA4KMT2A
SCHEMBL63339 0.80 MCL1 (0.53) MCL1CA1CA2CA4KMT2A
SCHEMBL11664151 0.78 MCL1 (0.52) MCL1CA1CA2CA4KMT2A
SCHEMBL6914585 0.78 MCL1 (0.52) MCL1CA1CA2CA4KMT2A
SCHEMBL15364870 0.78 MCL1 (0.52) MCL1CA1CA2CA4KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103345-A Method for producing compound comprising isomerization step of alpha, beta-unsaturated ketone 花王株式会社 2024-05-28 CN disclosed
CN-115943229-A Cyclic compounds as aromachemicals 巴斯夫欧洲公司 2023-04-07 CN disclosed
CN-114853585-A Heterogeneous catalysis double bond isomerization method 江苏宏邦化工科技有限公司 2022-08-05 CN disclosed
US-10626099-B2 Process for preparing pleuromutilin CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-04-21 US disclosed
WO-2019075195-A1 PROCESSES FOR PREPARING PLEUROMUTILIN FARNEY ELLIOT P (US) 2019-04-18 WO disclosed
US-20190106400-A1 Process For Preparing Pleuromutilin CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-04-11 US disclosed
US-9371262-B2 One-step intermolecular electrocyclic rearrangement process GIVAUDAN S.A. (CH) 2016-06-21 US disclosed
US-20140288326-A1 NOVEL PROCESS GIVAUDAN S.A. (CH) 2014-09-25 US disclosed
EP-2771331-A1 NOVEL PROCESS Givaudan SA (CH) 2014-09-03 EP disclosed
WO-2013060011-A1 NOVEL PROCESS GIVAUDAN SA (CH) 2013-05-02 WO disclosed
WO-2013060818-A1 NOVEL PROCESS GIVAUDAN SA (CH) 2013-05-02 WO disclosed
US-6974658-B2 HIGH MOLECULAR COMPOUND, MONOMER COMPOUNDS AND PHOTOSENSITIVE COMPOSITION FOR PHOTORESIST, PATTERN FORMING METHOD UTILIZING PHOTOSENSITIVE COMPOSITION, AND METHOD OF MANUFACTURING ELECTRONIC COMPONENTS KABUSHIKI KAISHA TOSHIBA (JP) 2005-12-13 US disclosed
US-20030235781-A1 High molecular compound, monomer compounds and photosensitive composition for photoresist, pattern forming method utilizing photosensitive composition, and method of manufacturing electronic components KABUSHIKI KAISHA TOSHIBA (JP) 2003-12-25 US disclosed
EP-0162572-B1 SILOXANE POLYPHOTOINITIATORS OF THE SUBSTITUTED ACETOPHENONE TYPE LOCTITE CORPORATION (US) 1989-01-25 EP disclosed
US-4534838-A Siloxane polyphotoinitiators of the substituted acetophenone type LOCTITE CORPORATION (US) 1985-08-13 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 (3 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-20190106400-A1 Process For Preparing Pleuromutilin PLEC, MLN, MRPL21 MCL1 4624/4885CA1 2282/4885CA2 3818/4885
US-10626099-B2 Process for preparing pleuromutilin PLEC, MLN, MRPL21 MCL1 4624/4885CA1 2282/4885CA2 3818/4885
US-20140288326-A1 NOVEL PROCESS COASY, ADH1C, AKR1C2 MCL1 2649/4885CA1 1681/4885CA2 3419/4885

“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.