SCHEMBL827227

SCHEMBL827227

CCCCc1cc(C)cc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
TYR P14679 3/20 0.39
HTT P42858 4/20 0.38
MAPT P10636 3/20 0.38
GPR84 Q9NQS5 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTR1A P08908 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MPO P05164 1/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOS2 P35228 1/20 0.33
SLC6A4 P31645 1/20 0.33
GAA P10253 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
SCHEMBL24810096 0.82 HTR2A (0.41) HTR2AMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL22803765 0.81 HTR2A (0.41) HTR2AHTTMAPTALDH1A1HTR1A
SCHEMBL22803795 0.81 HTR2A (0.61) HTR2AMAPTHTR1AMPOMEN1
SCHEMBL826869 0.80 TYR (0.36) HTR2ATYRHTTMAPTGPR84
SCHEMBL22803796 0.79 CHRNB2 (0.50) HTR2AHTTMAPTALDH1A1HTR1A
SCHEMBL8127712 0.77 HTR2A (0.40) HTR2AMAPTMEN1KMT2ATDP1
SCHEMBL31265128 0.77 GPR84 (0.36) TYRHTTMAPTGPR84ALDH1A1
SCHEMBL3792774 0.76 AHR (0.44) HTR2AALDH1A1HTR1ASMN1; SMN2CYP3A4
SCHEMBL11691828 0.76 NOS2 (0.42) TYRHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL22803797 0.73 HTR2A (0.37) HTR2AALDH1A1SMN1; SMN2TP53CYP3A4

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 8 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
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP 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 HTR2A 4628/4885TYR 41/4885HTT 2340/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS HTR2A 4365/4885TYR 68/4885HTT 2104/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS HTR2A 4628/4885TYR 41/4885HTT 2340/4885

“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.