SCHEMBL24006263

SCHEMBL24006263

C=C(Br)CCCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TEAD3 Q99594 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
EPHX2 P34913 1/20 0.41
NAAA Q02083 2/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4663055 0.82 L3MBTL1 (0.50) TSHRTDP1L3MBTL1TEAD3SMN1; SMN2
SCHEMBL721274 0.79 EPHX2 (0.48) TSHRTDP1L3MBTL1TEAD3SMN1; SMN2
SCHEMBL19040806 0.79 L3MBTL1 (0.50) TSHRTDP1L3MBTL1TEAD3SMN1; SMN2
SCHEMBL3484952 0.78 TEAD3 (0.46) TSHRTDP1L3MBTL1TEAD3SMN1; SMN2
SCHEMBL25796839 0.78 TSHR (0.44) TSHRTDP1L3MBTL1TEAD3SMN1; SMN2
SCHEMBL2640223 0.78 TSHR (0.70) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL8621469 0.78 TSHR (0.70) TSHRTDP1L3MBTL1TEAD3HRH4
SCHEMBL291194 0.78 SMN1; SMN2 (0.57) TSHRTEAD3SMN1; SMN2HTTEPHX2
SCHEMBL14600308 0.77 TSHR (0.56) TSHRTDP1L3MBTL1TEAD3SMN1; SMN2
SCHEMBL2593113 0.77 TSHR (0.56) TSHRSMN1; SMN2HTTNAAALMNA

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-20240228527-A1 STEREOSELECTIVE C9-C10 BOND FORMATION TRUSTEES OF DARTMOUTH COLLEGE 2024-07-11 US disclosed
US-20240228527-A1 STEREOSELECTIVE C9-C10 BOND FORMATION TRUSTEES OF DARTMOUTH COLLEGE 2024-07-11 US disclosed
US-20230212215-A1 GLUCOCORTICOID RECEPTOR MODULATORS TRUSTEES OF DARTMOUTH COLLEG 2023-07-06 US disclosed
US-20230212215-A1 GLUCOCORTICOID RECEPTOR MODULATORS TRUSTEES OF DARTMOUTH COLLEG 2023-07-06 US disclosed
WO-2021226465-A1 GLUCOCORTICOID RECEPTOR MODULATORS TRUSTEES OF DARTMOUTH COLLEGE (US) 2021-11-11 WO 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 (2 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-20240228527-A1 STEREOSELECTIVE C9-C10 BOND FORMATION NR5A1, HSD17B11, ESRRA TSHR 520/4885TDP1 4353/4885L3MBTL1 1547/4885
US-20230212215-A1 GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, MC2R TSHR 76/4885TDP1 4576/4885L3MBTL1 2757/4885

“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.