SCHEMBL6119397

SCHEMBL6119397

C=C(CBr)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GRM5 P41594 1/20 0.40
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
NAAA Q02083 1/20 0.38
AGXT P21549 1/20 0.38
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL29346470 0.88 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL6119415 0.85 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL2219865 0.82 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL6120213 0.81 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL10461732 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL29344326 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL6119762 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL2593113 0.80 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL6119293 0.79 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL6810767 0.79 CA1 (0.46) TSHRCA1CA2POLBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 US disclosed
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2021-04-29 US disclosed
EP-2699562-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
US-20170334907-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2017-11-23 US disclosed
US-9676768-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2017-06-13 US disclosed
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2015-10-15 US disclosed
US-9018214-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2015-04-28 US disclosed
US-20140179666-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-06-26 US disclosed
EP-2699562-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Limited (GB) 2014-02-26 EP disclosed
WO-2012143726-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2012-10-26 WO disclosed
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed
US-4933510-A Propanol derivatives SYMBICOM AKTIEBOLAG (SE) 1990-06-12 US disclosed
CN-86100170-A The preparation method of propanol derivative 1986-12-17 CN 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-20170334907-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TSHR 825/4885CA1 2764/4885CA2 2663/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TSHR 825/4885CA1 2764/4885CA2 2663/4885
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TSHR 825/4885CA1 2764/4885CA2 2663/4885
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TSHR 825/4885CA1 2764/4885CA2 2663/4885
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TSHR 825/4885CA1 2764/4885CA2 2663/4885
US-20140179666-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TSHR 825/4885CA1 2764/4885CA2 2663/4885

“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.