SCHEMBL983439

SCHEMBL983439

CCCCc1ccc[c]c1Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
HRH1 P35367 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
BCL2L2 Q92843 1/20 0.35
RIPK1 Q13546 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL983873 0.95 LTA4H (0.45) LTA4HLIPG
SCHEMBL983948 0.94 LTA4H (0.44) LTA4HLIPG
SCHEMBL981223 0.90 LTA4H (0.40) LTA4HHRH1BCL2L2RIPK1SLC6A2
SCHEMBL979987 0.83 LTA4H (0.40) LTA4HHRH1RIPK1SLC6A2SLC6A4
SCHEMBL984698 0.82 LTA4H (0.42) LTA4HBCL2L2POLBATML3MBTL1
SCHEMBL4728624 0.81 HTR1A (0.38) LTA4HSLC6A2SLC6A4CYP2D6CYP2C9
SCHEMBL1012043 0.80 ALOX5 (0.42) LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL3812990 0.80 SLC6A2 (0.44) LTA4HSLC6A2SLC6A4ALDH1A1
SCHEMBL8200917 0.79 LIPG (0.35) LIPGCYP3A4CYP2D6CYP2C9L3MBTL1
SCHEMBL982031 0.78 LTA4H (0.41) LTA4HPOLBATML3MBTL1ALDH1A1

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 4 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

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 LTA4H 1039/4885HRH1 1592/4885LIPG 28/4885

“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.