SCHEMBL18237671

SCHEMBL18237671

CC(C)c1nccc2c1C(=O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CYP2A6 P11509 1/20 0.34
BUB1 O43683 3/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
CSNK2A2 P19784 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LNPEP Q9UIQ6 1/20 0.32
CES1 P23141 1/20 0.31
PRKCI P41743 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL18237925 0.79
SCHEMBL19152890 0.77 BRD4 (0.37) MAOAMAOBCYP2A6BUB1NOS3
SCHEMBL18237842 0.75 PARP10 (0.39)
SCHEMBL13524886 0.75 NOS3 (0.48) NOS3NOS1NOS2LNPEPCES1
SCHEMBL8295015 0.75 MAOA (0.38) MAOAMAOBCYP2A6BUB1NOS3
SCHEMBL18238925 0.74 MAOA (0.36) MAOAMAOB
SCHEMBL18640786 0.74 NOS3 (0.52) MAOAMAOBCYP2A6BUB1NOS3
SCHEMBL27999392 0.74 MAOA (0.37) MAOAMAOBCYP2A6BUB1NOS3
SCHEMBL20478847 0.73 ALDH1A1 (0.36) MAOAMAOBCYP2A6BUB1NOS3
SCHEMBL18237941 0.73 GABRG2 (0.36) MAOAMAOBCYP2A6CSNK2A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
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 (3 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 MAOA 3437/4885MAOB 3701/4885CYP2A6 2675/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT MAOA 3437/4885MAOB 3701/4885CYP2A6 2675/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT MAOA 3437/4885MAOB 3701/4885CYP2A6 2675/4885

“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.