SCHEMBL979986

SCHEMBL979986

CCc1ccccc1Oc1[c]cccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 4/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
AR P10275 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RIPK1 Q13546 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
MGLL Q99685 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 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
SCHEMBL983988 0.88 L3MBTL1 (0.37) L3MBTL1MAPTNPSR1SLC6A2SLC6A4
SCHEMBL981222 0.86 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ARRIPK1
SCHEMBL983437 0.83 THRA (0.40)
SCHEMBL983871 0.82 THRA (0.45)
SCHEMBL10471231 0.82 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3RIPK1TSHR
SCHEMBL983947 0.81 THRA (0.47)
SCHEMBL10965997 0.80 KDM4E (0.35) L3MBTL1MAPTKDM4E
SCHEMBL981200 0.79 LTB4R (0.39) SLC6A2SLC6A4SLC6A3HPGDAR
SCHEMBL475213 0.78 L3MBTL1 (0.57) L3MBTL1MAPTNPSR1SLC6A2SLC6A4
SCHEMBL984696 0.77 PTGS2 (0.39)

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
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-4895587-A Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-01-23 US disclosed
EP-0206251-B1 HALOACETAMIDE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDE TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1988-09-07 EP disclosed
EP-0206251-A1 Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-12-30 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH L3MBTL1 3460/4885MAPT 2985/4885NPSR1 4473/4885

“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.