SCHEMBL18238204

SCHEMBL18238204

CC(C)c1cc2[nH]c(=O)ccc2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.46
PDE3A Q14432 6/20 0.46
MAPK1 P28482 4/20 0.45
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
F11 P03951 1/20 0.39
GRM4 Q14833 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL18239044 0.87 CA12 (0.46) PDE3BPDE3AMAPK1CA12CA9
SCHEMBL18237554 0.79 KDM5B (0.35) PDE3BPDE3AGRM4SRCEIF4A3
SCHEMBL14494413 0.77 PDE3B (0.50) PDE3BPDE3AMAPK1CA12CA9
SCHEMBL21909887 0.76 PDE3B (0.48) PDE3BPDE3AMAPK1CA12CA9
SCHEMBL5366546 0.75 PDE3B (0.52) PDE3BPDE3AMAPK1CA12CA9
SCHEMBL24667082 0.74 PDE3B (0.50) PDE3BPDE3AMAPK1CA12CA9
SCHEMBL5365199 0.74 PDE3B (0.50) PDE3BPDE3AMAPK1CA12CA9
SCHEMBL15507389 0.74 PDE3B (0.50) PDE3BPDE3AMAPK1CA12CA9
SCHEMBL12749942 0.74 GPR84 (0.38) MAPK1GRM4POLBPIK3CDABL1
SCHEMBL13155131 0.74 CYP2A6 (0.35) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PDE3B 4693/4885PDE3A 4572/4885MAPK1 4565/4885

“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.