SCHEMBL18237889

SCHEMBL18237889

CC(C)c1n[nH]c2c1C(=O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
DHODH Q02127 1/20 0.40
HCAR2 Q8TDS4 3/20 0.36
PTK2 Q05397 1/20 0.36
GAA P10253 2/20 0.33
PTK2B Q14289 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.31
MAPK10 P53779 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL21663045 0.89 TSHR (0.34) TSHRDHODH
SCHEMBL2575246 0.76 TSHR (0.52) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL11914621 0.75 HCAR2 (0.46) TSHRHCAR2GAAPTK2BSMN1; SMN2
SCHEMBL17321389 0.73 HCAR2 (0.42) TSHRDHODHHCAR2PTK2GAA
SCHEMBL19675169 0.72 TSHR (0.38) TSHRDHODHHCAR2PTK2GAA
SCHEMBL23774992 0.72 TSHR (0.43) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL19768752 0.72 TSHR (0.43) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL21612312 0.72 TSHR (0.43) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL21663055 0.71 TSHR (0.61) TSHRGAAKMT2A
SCHEMBL18237888 0.71 KDM4E (0.40) TSHRHCAR2GAAPTK2BSMN1; SMN2

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-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT TSHR 2393/4885DHODH 1356/4885HCAR2 1078/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT TSHR 2393/4885DHODH 1356/4885HCAR2 1078/4885

“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.