SCHEMBL20091641

SCHEMBL20091641

CN(C)CCC[Si](C)(P)CCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
DNM1 Q05193 3/20 0.38
TDP1 Q9NUW8 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MAPT P10636 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
SCHEMBL8207425 0.77 ALDH1A1 (0.50) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL8928256 0.77 ALDH1A1 (0.50) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL3276577 0.76 ALDH1A1 (0.43) ALDH1A1TSHRDNM1TDP1CA12
Hydrochloric Acid SCHEMBL28914158 0.74 ALDH1A1 (0.47) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL12677791 0.72 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL21741888 0.72 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL19861866 0.72 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL3777474 0.72 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL3770900 0.72 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL9703967 0.72 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392449-B2 Polymerization initiator, modified conjugated diene-based polymer, and methods for preparing them LG CHEM, LTD. (KR) 2019-08-27 US disclosed
US-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM LG CHEM, LTD. (KR) 2018-04-26 US 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-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM RIF1, RAD51, TRRAP ALDH1A1 517/4885TSHR 3880/4885DNM1 1630/4885
US-10392449-B2 Polymerization initiator, modified conjugated diene-based polymer, and methods for preparing them RIF1, RAD51, TRRAP ALDH1A1 517/4885TSHR 3880/4885DNM1 1630/4885

“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.