SCHEMBL21131995

SCHEMBL21131995

CC(C)(C)[Si](C)(C)OC[C@@H](O)COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
TSHR P16473 1/20 0.46
CASR P41180 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
AGER Q15109 1/20 0.44
KMT2A Q03164 3/20 0.44
CA4 P22748 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RGS12 O14924 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL4981492 1.00 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL19890114 1.00 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL23768525 0.87 CA1 (0.52) CA1CA2CA7CA9TSHR
SCHEMBL14587570 0.85 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL23387089 0.85 CA1 (0.43) CA1CA2CA7CA9TSHR
SCHEMBL14538694 0.85 CA1 (0.59) CA1CA2TSHRCASRMAPK1
SCHEMBL7955616 0.85 CA1 (0.59) CA1CA2TSHRCASRMAPK1
SCHEMBL30950123 0.85 CA1 (0.59) CA1CA2TSHRCASRMAPK1
SCHEMBL3428431 0.83 ADRB2 (0.40) CA1CA2CA7CA9CASR
SCHEMBL3428434 0.83 ADRB2 (0.40) CA1CA2CA7CA9CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024218290-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-10-24 WO disclosed
WO-2024218288-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-10-24 WO disclosed
CN-116322759-A Phospholipid compounds and uses thereof 吉利德科学公司 2023-06-23 CN disclosed
US-20220096649-A1 IMMUNOMODULATING POLYNUCLEOTIDE CONJUGATES AND METHODS OF USE HORIZON TECHNOLOGY FINANCE CORPORATION 2022-03-31 US disclosed
US-11203611-B2 Immunomodulating polynucleotides, antibody conjugates thereof, and methods of their use TOLLNINE, INC. (US) 2021-12-21 US disclosed
WO-2020081744-A1 IMMUNOMODULATING POLYNUCLEOTIDE CONJUGATES AND METHODS OF USE TOLLNINE, INC. (US) 2020-04-23 WO disclosed
US-20190202855-A1 POLYNUCLEOTIDE CONSTRUCTS SIRIUS THERAPEUTICS, INC. 2019-07-04 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 (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-20190202855-A1 POLYNUCLEOTIDE CONSTRUCTS PHAX, CPSF6, RNGTT CA1 3951/4885CA2 4663/4885CA7 3881/4885
US-11203611-B2 Immunomodulating polynucleotides, antibody conjugates thereof, and methods of their use TYMP, DUT, PAICS CA1 3947/4885CA2 4673/4885CA7 4057/4885
US-20220096649-A1 IMMUNOMODULATING POLYNUCLEOTIDE CONJUGATES AND METHODS OF USE PBK, CD47, NCL CA1 4810/4885CA2 4859/4885CA7 4488/4885

“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.