SCHEMBL23986705

SCHEMBL23986705

O=C(OCCOc1ccc2cc(C#Cc3ccccc3)ccc2c1-c1c(OCCO)ccc2cc(C#Cc3ccccc3)ccc12)OCCOc1ccc2cc(C#Cc3ccccc3)ccc2c1-c1c(OCCO)ccc2cc(C#Cc3ccccc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.39
GRM5 P41594 1/20 0.38
ASIC3 Q9UHC3 2/20 0.38
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.36
ACACB O00763 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
MMP3 P08254 1/20 0.34
IDO1 P14902 1/20 0.34
APP P05067 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
SCHEMBL23986576 0.94 ACACB (0.38) ALDH1A1RECQLGAAACACBMMP3
SCHEMBL30536490 0.91 ASIC3 (0.44) FFAR1GRM5ASIC3ALDH1A1RECQL
SCHEMBL30536496 0.91 ASIC3 (0.44) FFAR1GRM5ASIC3ALDH1A1RECQL
SCHEMBL21858952 0.91 ASIC3 (0.44) FFAR1GRM5ASIC3ALDH1A1RECQL
SCHEMBL23965441 0.85 IDO1 (0.45) FFAR1GRM5ASIC3ALDH1A1RECQL
SCHEMBL30536495 0.84 IDO1 (0.44) ASIC3ALDH1A1RECQLACACBMMP3
SCHEMBL21858514 0.84 IDO1 (0.44) ASIC3ALDH1A1RECQLACACBMMP3
SCHEMBL30536494 0.84 IDO1 (0.44) ASIC3ALDH1A1RECQLACACBMMP3
SCHEMBL31290261 0.84 ESR1 (0.42) ALDH1A1RECQLGAAIDO1
SCHEMBL23986581 0.82 CYP1A1 (0.46) ASIC3ALDH1A1RECQLACACBMMP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US disclosed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US 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-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 FFAR1 373/4885GRM5 2617/4885ASIC3 1634/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R FFAR1 260/4885GRM5 2703/4885ASIC3 1443/4885

“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.