SCHEMBL21576889

SCHEMBL21576889

CCC(=O)CCc1cncnc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.49
HCAR2 Q8TDS4 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
F2RL1 P55085 1/20 0.34
TBXAS1 P24557 3/20 0.33
ESR1 P03372 1/20 0.33
CYP19A1 P11511 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HMOX1 P09601 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
SCHEMBL4906214 0.79 ALDH1A1 (0.52) IAPPHCAR2TBXAS1ESR1CYP19A1
SCHEMBL12530406 0.78 TBXAS1 (0.57) TDP1TBXAS1ESR1CYP19A1L3MBTL1
Hydrochloric Acid SCHEMBL10770836 0.78 ALDH1A1 (0.50) IAPPHCAR2TBXAS1ESR1CYP19A1
SCHEMBL7011872 0.77 KEAP1 (0.52) HCAR2TBXAS1
SCHEMBL7178176 0.76 IAPP (0.53) IAPPTDP1F2RL1
SCHEMBL4423244 0.76 CYP4F2 (0.57) TDP1TBXAS1L3MBTL1CYP1A2CYP3A4
SCHEMBL17983732 0.75 CAPN1 (0.46) HCAR2TBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL7013456 0.74 CYP11B1 (0.46) TBXAS1
SCHEMBL6298405 0.74 HCAR2 (0.34) HCAR2TBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL20665299 0.74 CYP24A1 (0.40) HCAR2TBXAS1L3MBTL1CYP1A2CYP3A4

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-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 IAPP 2965/4885HCAR2 4611/4885TDP1 764/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 IAPP 2965/4885HCAR2 4611/4885TDP1 764/4885

“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.