SCHEMBL979987

SCHEMBL979987

CCc1ccc[c]c1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.40
RIPK1 Q13546 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TSHR P16473 1/20 0.38
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PARP10 Q53GL7 1/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CRHBP P24387 1/20 0.34
RAB9A P51151 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 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
SCHEMBL981223 0.86 LTA4H (0.40) LTA4HRIPK1SLC6A2SLC6A4TSHR
SCHEMBL983439 0.83 LTA4H (0.45) LTA4HRIPK1SLC6A2SLC6A4HRH1
SCHEMBL983873 0.82 LTA4H (0.45) LTA4H
SCHEMBL983948 0.81 LTA4H (0.44) LTA4H
SCHEMBL4728624 0.80 HTR1A (0.38) LTA4HSLC6A2SLC6A4TSHRHTT
SCHEMBL4793346 0.80 RIPK1 (0.39) LTA4HRIPK1SLC6A2SLC6A4TSHR
SCHEMBL983989 0.79 LTA4H (0.38) LTA4HRIPK1SLC6A2SLC6A4TSHR
SCHEMBL3812990 0.79 SLC6A2 (0.44) LTA4HSLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL455800 0.77 GABRA1 (0.37) HTTHPGDKDM4ENPSR1
SCHEMBL981916 0.76 LTA4H (0.37) LTA4HRIPK1SLC6A2SLC6A4TSHR

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
CN-114601930-A Combination therapy of PD-1 signaling inhibitors 国立大学法人京都大学 2022-06-10 CN claimed
CN-114404595-A Combination therapy of PD-1 signaling inhibitors 国立大学法人京都大学 2022-04-29 CN claimed
CN-114601930-A Combination therapy of PD-1 signaling inhibitors 国立大学法人京都大学 2022-06-10 CN disclosed
CN-114404595-A Combination therapy of PD-1 signaling inhibitors 国立大学法人京都大学 2022-04-29 CN disclosed
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 1039/4885RIPK1 1613/4885SLC6A2 4820/4885

“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.