SCHEMBL21097451

SCHEMBL21097451

C[Si](C)(C)C#Cc1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 1/20 0.40
FFAR1 O14842 1/20 0.40
ESR2 Q92731 1/20 0.36
CYP2A6 P11509 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36

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
SCHEMBL10535351 0.87 TSHR (0.45) GRM5ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL9088916 0.87 GRM5 (0.42) GRM5ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL21451361 0.85 PDCD1 (0.43) GRM5ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL20791596 0.85 MAPT (0.40) GRM5ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL2856342 0.85 ALDH1A1 (0.40) GRM5ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL28815370 0.84 ALDH1A1 (0.39) GRM5ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL29865535 0.84 ALDH1A1 (0.39) GRM5ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL5354381 0.84 ALDH1A1 (0.42) GRM5ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL21331572 0.83 ABL1 (0.49) ALDH1A1TSHRKDM4EMAPTNPC1
SCHEMBL31668232 0.83 ABL1 (0.49) ALDH1A1TSHRKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10549261-B2 Compositions, systems and methods using selective porous materials for oxygen separation NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2020-02-04 US claimed
US-20190270068-A1 COMPOSITIONS, SYSTEMS AND METHODS USING SELECTIVE POROUS MATERIALS FOR OXYGEN SEPARATION NAT TECH & ENG SOLUTIONS SANDIA LLC (US) 2019-09-05 US claimed
CN-113845658-B Porous organic polymer, preparation method and application thereof 南京理工大学 2023-04-28 CN disclosed
CN-113845658-A Porous organic polymer, preparation method and application thereof 南京理工大学 2021-12-28 CN disclosed
US-20200131204-A1 SILICON-CONTAINING ELECTRON TRANSPORTING MATERIAL AND ITS APPLICATION Beijing Summer Sprout Technology Co., Ltd. (CN) 2020-04-30 US disclosed
US-10549261-B2 Compositions, systems and methods using selective porous materials for oxygen separation NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2020-02-04 US disclosed
US-20190270068-A1 COMPOSITIONS, SYSTEMS AND METHODS USING SELECTIVE POROUS MATERIALS FOR OXYGEN SEPARATION NAT TECH & ENG SOLUTIONS SANDIA LLC (US) 2019-09-05 US disclosed
US-10343141-B1 Compositions, systems and methods using selective porous materials for oxygen separation NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2019-07-09 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 (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-20200131204-A1 SILICON-CONTAINING ELECTRON TRANSPORTING MATERIAL AND ITS APPLICATION SLCO4C1, SLC35E1, SLC2A9 GRM5 1711/4885ALDH1A1 2370/4885HSD17B10 3226/4885

“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.