SCHEMBL20917090

SCHEMBL20917090

CCCCC#Cc1ccc2c(c1)oc1cc(C#CCCCC)ccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.38
TNK2 Q07912 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL20917270 0.95 FFAR1 (0.45) NPC1MAPTRAB9AFFAR1FFAR4
SCHEMBL12884217 0.91 MMP2 (0.46) NPC1MAPTRAB9AFFAR1FFAR4
SCHEMBL16806117 0.91 MMP2 (0.46) NPC1MAPTRAB9AFFAR1FFAR4
SCHEMBL16806165 0.91 MMP2 (0.46) NPC1MAPTRAB9AFFAR1FFAR4
SCHEMBL16806218 0.87 RAB9A (0.38) NPC1MAPTRAB9AMMP2MMP12
SCHEMBL16981596 0.86 FFAR1 (0.43) NPC1MAPTRAB9AFFAR1FFAR4
SCHEMBL16981593 0.86 FFAR1 (0.43) NPC1MAPTRAB9AFFAR1FFAR4
SCHEMBL14959962 0.86 MAPT (0.47) NPC1MAPTRAB9A
SCHEMBL16806214 0.86 RAB9A (0.44) NPC1MAPTRAB9AFFAR1FFAR4
SCHEMBL16985110 0.85 FFAR1 (0.42) NPC1MAPTRAB9AFFAR1FFAR4

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
EP-3697768-B1 DIBENZOFURANS AND DIBENZOTHIOPHENES MERCK PATENT GMBH (DE) 2023-06-07 EP disclosed
EP-3697768-B1 DIBENZOFURANS AND DIBENZOTHIOPHENES MERCK PATENT GMBH (DE) 2023-06-07 EP disclosed
US-11485723-B2 Dibenzofurans and dibenzothiophenes MERCK PATENT GMBH (DE) 2022-11-01 US disclosed
US-20210122725-A1 DIBENZOFURANS AND DIBENZOTHIOPHENES MERCK PATENT GMBH (DE) 2021-04-29 US disclosed
US-20210122725-A1 DIBENZOFURANS AND DIBENZOTHIOPHENES MERCK PATENT GMBH (DE) 2021-04-29 US disclosed
EP-3697768-A1 DIBENZOFURANS AND DIBENZOTHIOPHENES Merck Patent GmbH (DE) 2020-08-26 EP disclosed
WO-2019076852-A1 DIBENZOFURANS AND DIBENZOTHIOPHENES MERCK PATENT GMBH (DE) 2019-04-25 WO disclosed
WO-2019076852-A1 DIBENZOFURANS AND DIBENZOTHIOPHENES MERCK PATENT GMBH (DE) 2019-04-25 WO 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 (2 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-20210122725-A1 DIBENZOFURANS AND DIBENZOTHIOPHENES DDT, BPTF, CCNT1 NPC1 4260/4885MAPT 989/4885RAB9A 4330/4885
US-11485723-B2 Dibenzofurans and dibenzothiophenes DDT, BPTF, CCNT1 NPC1 4260/4885MAPT 989/4885RAB9A 4330/4885

“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.