SCHEMBL29318128

SCHEMBL29318128

COc1ccc(-c2cncc(O)c2)cc1C1CC1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTR2C P28335 6/20 0.37
MAOA P21397 2/20 0.36
KDM1A O60341 1/20 0.36
PDE4B Q07343 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HSD17B1 P14061 1/20 0.34
FPR2 P25090 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MIF P14174 2/20 0.33
ROCK2 O75116 1/20 0.33
MAOB P27338 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
SCHEMBL29318127 0.83 POLB (0.37) HTR2CMAOB
SCHEMBL29318139 0.82 AAK1 (0.38) CYP11B2HTR2CPDE4BMTNR1AMTNR1B
SCHEMBL29318135 0.80 HTR2C (0.37) CYP11B1CYP11B2HTR2CKDM1APDE4B
SCHEMBL29318132 0.80 HTR2C (0.37) HTR2CKDM1APDE4BMTNR1AMTNR1B
SCHEMBL29318141 0.76 HTR2C (0.35) HTR2C
SCHEMBL29318567 0.76 TSHR (0.42) PDE4BMTNR1AMTNR1B
SCHEMBL29318149 0.75 AAK1 (0.36) CYP11B2HTR2CPDE4B
SCHEMBL29318148 0.75 HTR2C (0.36) HTR2CMTNR1AMTNR1B
SCHEMBL29318113 0.74 HTR2C (0.35) CYP11B1CYP11B2HTR2CKDM1APDE4B
SCHEMBL29318121 0.74 HTR2C (0.35) CYP11B1CYP11B2HTR2CKDM1APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 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 (1 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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP CYP11B1 1441/4885CYP11B2 978/4885HTR2C 1761/4885

“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.