SCHEMBL18237367

SCHEMBL18237367

CC(C)c1ccccc1-c1cc2cc[nH]c2cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
TRPA1 O75762 2/20 0.44
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
PIK3CD O00329 1/20 0.39
USP1 O94782 7/20 0.38
TRPC5 Q9UL62 1/20 0.38
ATR Q13535 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.36
NPC1 O15118 2/20 0.36
WDR48 Q8TAF3 1/20 0.35
LRRK2 Q5S007 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL19153505 0.81 IDO1 (0.46) GRM4TRPA1HDAC6PIK3CDNPC1
SCHEMBL10094325 0.75 TRPA1 (0.61) TRPA1ALOX5APFEN1NPC1
SCHEMBL29863719 0.74 PIP4K2C (0.48) TRPA1USP1PIP4K2CWDR48
SCHEMBL12749949 0.72 PAK3 (0.41) GRM4HDAC6LRRK2MAPT
SCHEMBL15563635 0.71 TRPA1 (0.47) TRPA1ALOX5APFEN1PIP4K2CLRRK2
SCHEMBL29018615 0.70 HDAC6 (0.41) GRM4TRPA1HDAC6PIK3CDNPC1
SCHEMBL30354459 0.70 HDAC6 (0.41) GRM4TRPA1HDAC6PIK3CDNPC1
SCHEMBL1762547 0.70 GRM4 (0.42) GRM4HDAC6PIK3CDNPC1MAPT
SCHEMBL21468927 0.68 PIK3CD (0.45) GRM4HDAC6PIK3CDLRRK2MAPT
SCHEMBL15034376 0.68 USP1 (0.45) TRPA1ALOX5APFEN1USP1TRPC5

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 GRM4 2092/4885TRPA1 4597/4885ALOX5AP 4805/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GRM4 2092/4885TRPA1 4597/4885ALOX5AP 4805/4885

“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.