SCHEMBL21535964

SCHEMBL21535964

C#CCNC(=O)NCCCC

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.63
EPHX2 P34913 3/20 0.46
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.45
MMP2 P08253 2/20 0.44
MMP1 P03956 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL320112 0.84 EPHX1 (0.85) EPHX1MMP2MMP1ACHE
SCHEMBL30786047 0.82 EPHX1 (0.90) EPHX1EPHX2MMP2MMP1ACHE
SCHEMBL11571691 0.82 CA12 (0.39) EPHX1
SCHEMBL28215302 0.81 EPHX1 (0.65) EPHX1EPHX2POLBMMP2MMP1
SCHEMBL14064986 0.80 CASP2 (0.55) EPHX1EPHX2
SCHEMBL22068239 0.80 PAOX (0.52) EPHX1EPHX2
SCHEMBL17133784 0.80 EPHX1 (0.95) EPHX1EPHX2
SCHEMBL9323761 0.80 EPHX1 (0.82) EPHX1EPHX2MMP2MMP1ACHE
SCHEMBL28407900 0.79 EPHX1 (0.63) EPHX1EPHX2POLBMMP2MMP1
SCHEMBL28413519 0.79 EPHX1 (0.57) EPHX1EPHX2CYP2C9MMP2MMP1

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-10730832-B2 Aliphatic prolinamide derivatives Orion Ophthalmology LLC (US) 2020-08-04 US disclosed
US-20190330146-A1 ALIPHATIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2019-10-31 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-10730832-B2 Aliphatic prolinamide derivatives HTRA1, ALDH1A2, PREP EPHX1 2154/4885EPHX2 3811/4885CYP2C9 2820/4885
US-20190330146-A1 ALIPHATIC PROLINAMIDE DERIVATIVES HTRA1, ALDH1A2, PREP EPHX1 2154/4885EPHX2 3811/4885CYP2C9 2820/4885

“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.