SCHEMBL31090653

SCHEMBL31090653

NCCOCCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAAA Q02083 2/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
IDO1 P14902 1/20 0.45
AGXT P21549 1/20 0.43
LTA4H P09960 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 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
SCHEMBL26813217 1.00 TSHR (0.54) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL21214934 0.98 TSHR (0.52) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL9761302 0.98 TSHR (0.52) TSHRTDP1L3MBTL1NAAAHRH4
Hydrochloric Acid SCHEMBL28855420 0.98 TSHR (0.52) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL26813195 0.96 TSHR (0.50) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL27375031 0.96 TSHR (0.54) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL26812986 0.92 TSHR (0.54) TSHRTDP1L3MBTL1NAAAHRH4
SCHEMBL25227691 0.92 TSHR (0.58) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL4446579 0.92 TSHR (0.58) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL12013285 0.92 TSHR (0.58) TSHRNAAAIDO1AGXTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294499-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2024-09-05 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-20240294499-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN MCL1, MDM2, XIAP TSHR 4404/4885TDP1 3302/4885L3MBTL1 478/4885

“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.