SCHEMBL30914533

SCHEMBL30914533

COC1CC(CNC(=O)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
P2RX7 Q99572 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL30426179 0.81 CTSL (0.57) CTSLCTSBCTSKKDM4EPKM
Methyl Benzoate SCHEMBL28309417 0.79 TSHR (0.58) CTSLCTSBCTSKKDM4EPKM
SCHEMBL25558706 0.79 ACACB (0.42) CTSLCTSBCTSKMAPK14
SCHEMBL2303341 0.79 HDAC3 (0.64) CTSLCTSBCTSKKDM4EPKM
SCHEMBL7000310 0.77 OPRM1 (0.56) CTSLCTSBCTSKKDM4EPKM
SCHEMBL30914536 0.76 MMP2 (0.53) CTSLCTSBCTSKSMN1; SMN2HPGD
SCHEMBL8393362 0.76 SMN1; SMN2 (0.68) CTSLCTSBCTSKKDM4EPKM
SCHEMBL4956356 0.76 CTSL (0.59) CTSLCTSBCTSKKDM4EPKM
SCHEMBL8391563 0.76 SMN1; SMN2 (0.73) CTSLCTSBCTSKKDM4EPKM
SCHEMBL23710512 0.75 ALOX15 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 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 (1 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-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA CTSL 3398/4885CTSB 2091/4885CTSK 1241/4885

“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.