SCHEMBL29318567

SCHEMBL29318567

COc1ccc(Br)cc1C1CC1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PDE4B Q07343 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL18512323 0.90 PDE4B (0.38) TSHRPDE4BMEN1KMT2AALDH1A1
SCHEMBL18511991 0.87 MTNR1A (0.45) TSHRMEN1KMT2AALDH1A1RECQL
SCHEMBL29318122 0.77 AAK1 (0.41) PDE4BMTNR1AMTNR1B
SCHEMBL440565 0.76 SLC6A4 (0.45) SMN1; SMN2
SCHEMBL451958 0.76 SLC6A4 (0.45) SMN1; SMN2
SCHEMBL15314508 0.76 SLC6A4 (0.45) SMN1; SMN2
SCHEMBL29318128 0.76 CYP11B1 (0.41) PDE4BMTNR1AMTNR1B
SCHEMBL29318139 0.75 AAK1 (0.38) PDE4BKMT2AMTNR1AMTNR1BLMNA
SCHEMBL13310394 0.75 HRH3 (0.47) TSHRPDE4BMEN1KMT2ANPC1
SCHEMBL3390351 0.75 HRH3 (0.47) TSHRPDE4BMEN1KMT2ANPC1

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 TSHR 667/4885PDE4B 308/4885MEN1 1130/4885

“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.