SCHEMBL7010604

SCHEMBL7010604

O=C(c1ccc(CCl)cc1)n1ccc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
RAB9A P51151 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
NOTUM Q6P988 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
PLAU P00749 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PPARG P37231 1/20 0.42
KMT2A Q03164 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL6587897 0.83 RAB9A (0.75) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL31435512 0.82 RAB9A (1.00) TSHRRAB9AL3MBTL1NOTUMHDAC1
SCHEMBL1413391 0.82 RAB9A (1.00) TSHRRAB9AL3MBTL1NOTUMHDAC1
SCHEMBL31435488 0.80 RAB9A (0.75) TSHRRAB9AL3MBTL1NOTUMPPARG
SCHEMBL31435524 0.76 TSHR (0.70) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL9263968 0.76 TSHR (0.75) TSHRRAB9AL3MBTL1NOTUMHDAC1
SCHEMBL28243567 0.76 TSHR (0.69) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL10837613 0.74 NOTUM (0.59) TSHRRAB9AL3MBTL1NOTUMHDAC1
SCHEMBL28610695 0.72 TSHR (0.63) TSHRRAB9AL3MBTL1NOTUMHRH3
1,2-Dichloroethane SCHEMBL27631978 0.72 TSHR (0.59) TSHRRAB9AL3MBTL1NOTUMHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US disclosed
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US disclosed
WO-2017215110-A1 SYNTHETIC METHOD FOR ASYMMETRICAL THIOETHER 苏州大学 2017-12-21 WO disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP 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-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER STS, TST, SCLY TSHR 1975/4885RAB9A 3157/4885L3MBTL1 4811/4885

“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.