SCHEMBL827231

SCHEMBL827231

CCCCc1cnccc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RPS6KA3 P51812 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
CYP2E1 P05181 2/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2A6 P11509 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2C19 P33261 2/20 0.33
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PPARA Q07869 1/20 0.33
TYR P14679 1/20 0.33
LIMK1 P53667 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL25467910 0.89 CYP2E1 (0.41) TDP1L3MBTL1RPS6KA3CYP2E1CYP2C8
SCHEMBL10188339 0.81 LMNA (0.41) L3MBTL1RPS6KA3CYP2E1CYP2C8CYP2D6
SCHEMBL9587868 0.79 TDP1 (0.46) TDP1L3MBTL1HRH3CYP2E1CYP2C8
SCHEMBL9588808 0.78 TDP1 (0.41) TDP1L3MBTL1CYP2C9CYP2C19CYP1A2
SCHEMBL14485323 0.76 RPS6KA3 (0.39) RPS6KA3AOC1AOC3KDM6BKDM4C
SCHEMBL6911269 0.76 AOC1 (0.51) RPS6KA3CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL827903 0.76 TDP1 (0.43) TDP1L3MBTL1HRH3CYP2E1CYP2C8
SCHEMBL5106106 0.76 RPS6KA3 (0.42) RPS6KA3CYP2A6AOC1AOC3KDM6B
SCHEMBL20643181 0.76 CYP2D6 (0.46) TDP1L3MBTL1HRH3CYP2E1CYP2C8
SCHEMBL25031375 0.75 AOC1 (0.51) TDP1L3MBTL1AOC1AOC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (3 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS TDP1 3909/4885L3MBTL1 2684/4885RPS6KA3 2136/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS TDP1 3679/4885L3MBTL1 3121/4885RPS6KA3 1630/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS TDP1 3909/4885L3MBTL1 2684/4885RPS6KA3 2136/4885

“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.