SCHEMBL22019558

SCHEMBL22019558

CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1cccc2c1C(=O)OC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.42
▸ ATM Q13315 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ F2RL3 Q96RI0 2/20 0.38
▸ HCRTR1 O43613 3/20 0.37
▸ HCRTR2 O43614 3/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ IL1B P01584 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL22985955 0.91 F2RL3 (0.43) ATMEPHX2KDM1AF2RL3ALOX5AP
SCHEMBL24763109 0.80 IL1B (0.38) ATMEPHX2F2RL3ALOX5APFEN1
SCHEMBL22985956 0.79 TP53 (0.43) TP53HCRTR1HCRTR2
SCHEMBL21958025 0.79 ABHD6 (0.37) TP53
SCHEMBL6609250 0.75 CHEK2 (0.56) CHEK2ATMKDM1AHCRTR1HCRTR2
SCHEMBL8706834 0.73 CHEK2 (0.44) CHEK2KDM1ATP53HCRTR1HCRTR2
SCHEMBL6615093 0.73 HCRTR1 (0.58) CHEK2HCRTR1HCRTR2ALOX5APFEN1
SCHEMBL8703344 0.72 MEN1 (0.45) CHEK2KDM1ATP53HCRTR1HCRTR2
SCHEMBL4317069 0.72 CHEK2 (0.52) CHEK2KDM1AHCRTR1HCRTR2
SCHEMBL8706733 0.71 TP53 (0.43) CHEK2ATMKDM1ATP53HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683285-B2 Modulators of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-06-16 — — US disclosed
US-20200157085-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-05-21 — — 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-20200157085-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB CHEK2 3366/4885ATM 3103/4885EPHX2 3054/4885
US-10683285-B2 Modulators of hemoglobin HBG1, HBG2, HBB CHEK2 3366/4885ATM 3103/4885EPHX2 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.

Send feedback