SCHEMBL21471971

SCHEMBL21471971

ISOCCOCCOCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ NAAA Q02083 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LTA4H P09960 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ AGXT P21549 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TACR1 P25103 1/20 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
SCHEMBL20990572 1.00 TSHR (0.52) TSHRNAAATDP1L3MBTL1LTA4H
SCHEMBL21472358 1.00 TSHR (0.52) TSHRNAAATDP1L3MBTL1LTA4H
SCHEMBL18495415 1.00 TSHR (0.52) TSHRNAAATDP1L3MBTL1LTA4H
SCHEMBL26022603 1.00 TSHR (0.52) TSHRNAAATDP1L3MBTL1LTA4H
SCHEMBL21472357 0.98 TSHR (0.54) TSHRNAAATDP1L3MBTL1LTA4H
SCHEMBL10895400 0.83 TSHR (0.74) TSHRNAAATDP1L3MBTL1LTA4H
SCHEMBL4608747 0.83 TSHR (0.74) TSHRNAAATDP1L3MBTL1LTA4H
SCHEMBL9505432 0.83 TSHR (0.74) TSHRNAAATDP1L3MBTL1LTA4H
SCHEMBL26189828 0.83 TSHR (0.74) TSHRNAAATDP1L3MBTL1LTA4H
SCHEMBL27710140 0.83 TSHR (0.74) TSHRNAAATDP1L3MBTL1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 — — US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 — — US disclosed
US-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2021-10-14 — — US disclosed
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 — — WO disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 — — 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 (4 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-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 TSHR 3920/4885NAAA 4295/4885TDP1 1152/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL TSHR 4501/4885NAAA 3713/4885TDP1 541/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL TSHR 4501/4885NAAA 3713/4885TDP1 541/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL TSHR 4501/4885NAAA 3713/4885TDP1 541/4885

“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.

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