SCHEMBL19059398

SCHEMBL19059398

CCCCCC(CCCCC)c1ccc(C#N)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 7/20 0.36
CYP2A6 P11509 1/20 0.34
MGLL Q99685 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL22363287 0.97 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL25573950 0.97 KDM4E (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19464638 0.95 KDM4E (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19987500 0.89 ALDH1A1 (0.41) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19853004 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19003579 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL26061393 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL21024658 0.78 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL22379193 0.76 TSHR (0.38) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL18948444 0.76 KDM4E (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 KDM4E 1638/4885ALDH1A1 1480/4885HPGD 620/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB KDM4E 1961/4885ALDH1A1 2525/4885HPGD 1037/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 KDM4E 958/4885ALDH1A1 1171/4885HPGD 878/4885

“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.