SCHEMBL3822079

SCHEMBL3822079

BC(CCCCCC)CCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.48
DNM1 Q05193 3/20 0.48
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
OPRM1 P35372 1/20 0.46
GPR84 Q9NQS5 3/20 0.42
FDPS P14324 3/20 0.42
SPHK1 Q9NYA1 1/20 0.42
FFAR1 O14842 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41

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
SCHEMBL17787405 1.00 TSHR (0.50) TSHRTHRBLMNADNM1LCK
SCHEMBL22698780 1.00 TSHR (0.50) TSHRTHRBLMNADNM1LCK
SCHEMBL19069927 1.00 TSHR (0.50) TSHRTHRBLMNADNM1LCK
SCHEMBL14641771 1.00 TSHR (0.50) TSHRTHRBLMNADNM1LCK
SCHEMBL8272324 1.00 TSHR (0.50) TSHRTHRBLMNADNM1LCK
SCHEMBL14639891 1.00 TSHR (0.50) TSHRTHRBLMNADNM1LCK
SCHEMBL8281377 0.97 DNM1 (0.52) TSHRTHRBLMNADNM1LCK
SCHEMBL17278136 0.97 DNM1 (0.52) TSHRTHRBLMNADNM1LCK
SCHEMBL12807713 0.97 DNM1 (0.52) TSHRTHRBLMNADNM1LCK
SCHEMBL882679 0.97 OPRM1 (0.48) TSHRTHRBLMNADNM1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-20220089525-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-24 US disclosed
EP-2091956-A1 DIALKYLBORANE AMINE COMPLEXES BASF SE (DE) 2009-08-26 EP disclosed
WO-2008055859-A1 DIALKYLBORANE AMINE COMPLEXES BASF SE (DE) 2008-05-15 WO 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-20220089525-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2B, GRIN2A TSHR 3060/4885THRB 1971/4885LMNA 3135/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TSHR 1816/4885THRB 3405/4885LMNA 3614/4885

“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.