SCHEMBL3821073

SCHEMBL3821073

C#CCOCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
NAAA Q02083 2/20 0.50
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
LTA4H P09960 1/20 0.40
IDO1 P14902 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AGXT P21549 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL20423790 0.98 NAAA (0.53) TSHRNAAALMNAHTTLTA4H
SCHEMBL4180174 0.92 TSHR (0.50) TSHRNAAALMNAHTTLTA4H
SCHEMBL470893 0.90 TSHR (0.61) TSHRNAAALMNAIDO1AGXT
SCHEMBL19460555 0.88 TSHR (0.58) TSHRNAAALMNAIDO1AGXT
SCHEMBL23567271 0.84 TSHR (0.54) TSHRNAAALMNAIDO1AGXT
SCHEMBL1991359 0.82 TSHR (0.78) TSHRNAAAHTTLTA4HIDO1
SCHEMBL6049262 0.82 ALDH1A1 (0.42) TSHRIDO1TDP1SMN1; SMN2ALDH1A1
SCHEMBL2525303 0.82 TSHR (0.56) TSHRNAAAHTTLTA4HIDO1
SCHEMBL4608747 0.80 TSHR (0.74) TSHRNAAALMNAHTTLTA4H
SCHEMBL9505432 0.80 TSHR (0.74) TSHRNAAALMNAHTTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174299-B Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligand and methods of use 百济神州有限公司 2024-10-25 CN disclosed
US-20220281876-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2022-09-08 US disclosed
CN-114174299-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2022-03-11 CN disclosed
CN-113943293-A Process for preparing bifunctional compounds as PROTAC BTK degraders 百济神州(北京)生物科技有限公司 2022-01-18 CN disclosed
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
WO-2021018018-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-02-04 WO disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 US disclosed
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 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 (6 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 TSHR 4229/4885NAAA 3310/4885LMNA 1685/4885
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 TSHR 2881/4885NAAA 842/4885LMNA 2596/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB TSHR 4414/4885NAAA 3033/4885LMNA 1831/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 TSHR 3134/4885NAAA 1740/4885LMNA 1055/4885
US-20220281876-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN TSHR 2917/4885NAAA 4295/4885LMNA 3914/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 TSHR 4229/4885NAAA 3310/4885LMNA 1685/4885

“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.