SCHEMBL12847428

SCHEMBL12847428

CCC(CC)COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
CA1 P00915 4/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
TACR1 P25103 5/20 0.50
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
SLC1A1 P43005 1/20 0.44
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PSMB11 A5LHX3 1/20 0.42
PSMD11 O00231 1/20 0.42
PSMD12 O00232 1/20 0.42
PSMD14 O00487 1/20 0.42
PSMA7 O14818 1/20 0.42
PSMD3 O43242 1/20 0.42
PSMC3 P17980 1/20 0.42

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
SCHEMBL15576811 0.89 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL6068726 0.89 CA1 (0.50) TSHRCA1CA2CA7CA9
SCHEMBL11761286 0.89 CA1 (0.50) TSHRCA1CA2CA7CA9
SCHEMBL6068730 0.89 CA1 (0.50) TSHRCA1CA2CA7CA9
SCHEMBL21848157 0.87 TSHR (0.67) TSHRCA1CA2CA7CA9
SCHEMBL13246023 0.86 TSHR (0.45) TSHRCA1CA2CA7CA9
SCHEMBL14629715 0.86 ALDH1A1 (0.51) TSHRCA1CA2CA7CA9
SCHEMBL18391961 0.84 CA1 (0.46) TSHRCA1CA2CA7CA9
SCHEMBL10760744 0.83 PRSS1 (0.54) TSHRCA1CA2CA7CA9
SCHEMBL13652227 0.83 TSHR (0.42) TSHRCA1CA2CA7CA9

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-20220143231-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF JANSSEN BIOTECH, INC. 2022-05-12 US disclosed
US-20110059939-A1 THERAPEUTIC COMPOUNDS ALLERGAN ,INC (US) 2011-03-10 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-20110059939-A1 THERAPEUTIC COMPOUNDS CYP11B1, CYP11B2, SLC10A2 TSHR 4649/4885CA1 2489/4885CA2 457/4885
US-20220143231-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF BDNF, CD47, MAG TSHR 1143/4885CA1 77/4885CA2 3935/4885

“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.