SCHEMBL8570364

SCHEMBL8570364

BrC(Br)(Br)COCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
IDO1 P14902 1/20 0.46
CA1 P00915 5/20 0.46
AGXT P21549 1/20 0.44
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA7 P43166 2/20 0.42
TACR1 P25103 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TRPA1 O75762 1/20 0.40
NAAA Q02083 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
SCHEMBL11146323 0.83 TSHR (0.67) TSHRKDM4EPOLBIDO1CA1
SCHEMBL18828486 0.82 TSHR (0.58) TSHRKDM4EPOLBIDO1CA1
SCHEMBL6043011 0.82 TSHR (0.58) TSHRKDM4EPOLBIDO1CA1
SCHEMBL1691827 0.79 TSHR (0.61) TSHRKDM4EPOLBIDO1CA1
SCHEMBL8157722 0.79 ALDH1A1 (0.61) TSHRKDM4EPOLBIDO1CA1
SCHEMBL8570929 0.79 TSHR (0.61) TSHRKDM4EPOLBIDO1CA1
SCHEMBL21408338 0.79 KDM4E (0.78) TSHRKDM4EPOLBIDO1CA1
SCHEMBL5311581 0.79 TSHR (1.00) TSHRKDM4EPOLBIDO1CA1
SCHEMBL27380 0.79 TSHR (1.00) TSHRKDM4EPOLBIDO1CA1
SCHEMBL5793925 0.77 TSHR (0.58) TSHRKDM4EPOLBIDO1CA1

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-9527798-B2 Cyclopropylboronic compounds, preparation process thereof and use thereof DIVERCHIM (FR) 2016-12-27 US disclosed
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2015-11-19 US disclosed
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 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-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF HMBS, MMAB, FDPS TSHR 4655/4885KDM4E 1743/4885POLB 1080/4885

“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.