SCHEMBL19032136

SCHEMBL19032136

Cc1cc(=O)c2c([nH]1)CC(C)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CYP2A6 P11509 2/20 0.37
CYP2A13 Q16696 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 3/20 0.36
BRD4 O60885 3/20 0.35
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 3/20 0.33
RB1 P06400 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BUB1 O43683 1/20 0.32
CYP1A2 P05177 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
SCHEMBL19032054 0.87 KMT2A (0.45) ALDH1A1CYP2A6CYP2A13TSHRKMT2A
SCHEMBL19032080 0.80 HPGD (0.33) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL15984747 0.75 CYP2A6 (0.37) ALDH1A1CYP2A6CYP2A13TSHRKMT2A
SCHEMBL9140017 0.73 GABRA1 (0.49) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL9454809 0.73 GABRA1 (0.45) ALDH1A1BRD4KDM4EHPGDGAA
SCHEMBL15980348 0.72 ALDH1A1 (0.37) ALDH1A1CYP2A6CYP2A13TSHRKMT2A
SCHEMBL19032104 0.70 ALDH1A1 (0.33) ALDH1A1CYP2A6CYP2A13TSHRKMT2A
SCHEMBL19032046 0.69 TP53 (0.40) HPGDHSD17B10MAPT
SCHEMBL9488065 0.68 TNKS2 (0.40) ALDH1A1KDM4EGAACYP1A2
SCHEMBL8579183 0.63 RB1 (0.63) KDM4ERB1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO (US) 2024-04-23 US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO 2022-08-16 US disclosed
US-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2020-09-10 US disclosed
US-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2020-09-10 US disclosed
EP-3394032-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES The University of Chicago (US) 2018-10-31 EP disclosed
WO-2017112678-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES MCLEOD RIMA (US) 2017-06-29 WO disclosed
WO-2017112678-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES MCLEOD RIMA (US) 2017-06-29 WO 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 (4 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-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB ALDH1A1 342/4885CYP2A6 1650/4885CYP2A13 1114/4885
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB ALDH1A1 304/4885CYP2A6 1542/4885CYP2A13 1090/4885
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB ALDH1A1 304/4885CYP2A6 1542/4885CYP2A13 1090/4885
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB ALDH1A1 342/4885CYP2A6 1650/4885CYP2A13 1114/4885

“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.