SCHEMBL9976086

SCHEMBL9976086

COc1ccc2c(=O)cc(C)oc2c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP3A4 P08684 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP1A2 P05177 2/20 0.60
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
TERT O14746 4/20 0.58
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
MAOA P21397 1/20 0.52
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
CYP1A1 P04798 3/20 0.50
HPGD P15428 3/20 0.50

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
SCHEMBL28787151 0.84 CYP3A4 (0.60) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL28592427 0.79 ALDH1A1 (0.64) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL5617428 0.78 ODC1 (0.65) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL4649487 0.78 CYP3A4 (0.76) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL988001 0.78 TERT (0.77) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL29612043 0.78 TERT (0.77) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL4772250 0.77 KDM4E (0.74) ALDH1A1KDM4ECYP3A4CYP1A2CA12
SCHEMBL6616218 0.77 CYP3A4 (0.73) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL6801603 0.77 CYP3A4 (0.65) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL6612282 0.77 TUBB4A (0.76) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2

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
US-20240174649-A1 CULLIN-RING E3 UBIQUITIN LIGASE 4 INHIBITOR COMPOUNDS AND METHODS OF THEIR USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2024-05-30 US disclosed
WO-2022165432-A1 CULLIN-RING E3 UBIQUITIN LIGASE 4 INHIBITOR COMPOUNDS AND METHODS OF THEIR USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-08-04 WO disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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 (2 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B ALDH1A1 2789/4885KDM4E 427/4885CYP3A4 3005/4885
US-20240174649-A1 CULLIN-RING E3 UBIQUITIN LIGASE 4 INHIBITOR COMPOUNDS AND METHODS OF THEIR USE CUL4A, CUL1, CUL3 ALDH1A1 1864/4885KDM4E 476/4885CYP3A4 3054/4885

“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.