SCHEMBL21860132

SCHEMBL21860132

CCC1CCCCC1NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
ALDH1A1 P00352 3/20 0.37
CXCR2 P25025 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
RHEB Q15382 1/20 0.36
MME P08473 1/20 0.36
OGA O60502 1/20 0.36
KDM4E B2RXH2 1/20 0.35
EPHX1 P07099 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
SCHEMBL14089093 1.00 CYP2C9 (0.51) CYP2C9CYP2C19PSEN1PSEN2APH1B
SCHEMBL29315198 0.85 CA1 (0.52) CYP2C9CYP2C19PSEN1PSEN2APH1B
SCHEMBL6529099 0.84 CNR2 (0.43) CYP2C9CYP2C19PSEN1PSEN2APH1B
SCHEMBL12678517 0.84 CNR2 (0.43) CYP2C9CYP2C19PSEN1PSEN2APH1B
SCHEMBL29315201 0.82 MME (0.41) CYP2C9CYP2C19PSEN1PSEN2APH1B
SCHEMBL23712674 0.81 NPSR1 (0.37) CYP2C9CYP2C19ALDH1A1CXCR2MME
SCHEMBL282957 0.80 PSEN1 (0.52) CYP2C9CYP2C19PSEN1PSEN2APH1B
SCHEMBL282958 0.80 PSEN1 (0.52) CYP2C9CYP2C19PSEN1PSEN2APH1B
SCHEMBL283284 0.80 PSEN1 (0.52) CYP2C9CYP2C19PSEN1PSEN2APH1B
SCHEMBL17778095 0.78 PSEN1 (0.41) CYP2C9CYP2C19PSEN1PSEN2APH1B

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-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2021-10-28 US disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 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-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 CYP2C9 4439/4885CYP2C19 4182/4885PSEN1 4312/4885
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER PGK1, PHKG1, NEK1 CYP2C9 4133/4885CYP2C19 3575/4885PSEN1 4305/4885

“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.