SCHEMBL21755121

SCHEMBL21755121

CCCCCCCC(CCCC)c1ccc(OC)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SLC2A1 P11166 1/20 0.39
MMP13 P45452 5/20 0.38
MMP9 P14780 4/20 0.38
ADAM17 P78536 4/20 0.38
MMP1 P03956 4/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
CYP2E1 P05181 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C8 P10632 2/20 0.36

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
SCHEMBL21503707 0.98 CASP3 (0.40) CASP3SENP8SENP7SENP6SLC2A1
SCHEMBL21479416 0.98 CASP3 (0.40) CASP3SENP8SENP7SENP6SLC2A1
SCHEMBL22087907 0.85 CASP3 (0.40) CASP3SENP8SENP7SENP6SLC2A1
SCHEMBL18763961 0.84 SLC2A1 (0.37) SLC2A1TSHRNR1I2NR5A1
SCHEMBL26800888 0.82 SLC2A1 (0.36) SLC2A1NR1I2NR5A1
SCHEMBL21503683 0.81 SLC2A1 (0.37) SLC2A1NR1I2NR5A1
SCHEMBL21649302 0.80 SLC2A1 (0.39) CASP3SENP8SENP7SENP6SLC2A1
SCHEMBL20098173 0.80 ESR1 (0.40) CASP3SENP8SENP7SENP6MMP13
SCHEMBL21024918 0.79 ESR1 (0.44) NR1I2CACNA1I
SCHEMBL18672471 0.78 APLNR (0.37) SLC2A1MMP2NR1I2HSP90AA1

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
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-02-25 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 (4 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CASP3 3177/4885SENP8 3151/4885SENP7 3545/4885
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 CASP3 2200/4885SENP8 1790/4885SENP7 1225/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 CASP3 1768/4885SENP8 1745/4885SENP7 1049/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CASP3 3177/4885SENP8 3151/4885SENP7 3545/4885

“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.