SCHEMBL2600440

SCHEMBL2600440

COc1ccc2c(c1)C(=O)CCC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
HTT P42858 1/20 0.59
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
METAP1 P53582 2/20 0.49
ALDH1A1 P00352 4/20 0.47
ACHE P22303 1/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL8052882 0.88 PDE3B (0.59) KDM4EHTTCA1CA2CA4
SCHEMBL268592 0.84 KDM4E (0.56) KDM4EHTTMETAP1ALDH1A1MAPT
SCHEMBL251842 0.84 MAOB (0.54) KDM4EHTTMETAP1ALDH1A1ACHE
SCHEMBL29392039 0.84 MAOB (0.54) KDM4EHTTMETAP1ALDH1A1ACHE
Water SCHEMBL28454486 0.82 KDM4E (0.54) KDM4EHTTMETAP1ALDH1A1MAPT
SCHEMBL6130607 0.82 MAPK14 (0.56) KDM4EHTTMETAP1
SCHEMBL27323916 0.81 MAOA (0.51) KDM4EHTTMETAP1
SCHEMBL22451527 0.81 RYR2 (0.56) KDM4EHTTCA1CA2CA4
Butane SCHEMBL4688097 0.78 BRD4 (0.52) KDM4EHTTMETAP1ACHE
SCHEMBL17304628 0.78 KDM4E (0.57) KDM4EHTTALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073757-B Dyeing process using a hair-dyeing precursor obtained from an iridoid, composition, precursor and device comprising such a precursor 莱雅公司 2019-12-17 CN disclosed
EP-2978767-B1 DYEING METHOD USING A HAIR-DYEING PRECURSOR OBTAINED FROM IRIDOIDS, COMPOSITION, PRECURSOR AND DEVICE INCLUDING SAME OREAL (FR) 2018-10-03 EP disclosed
WO-2013045701-A2 DYEING PROCESS USING A COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A NUCLEOPHILE OR AN AMINO OR THIO POLYMER, COMPOSITION AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 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-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 KDM4E 697/4885HTT 4577/4885CA1 2136/4885

“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.