SCHEMBL19862479

SCHEMBL19862479

CCC(=O)c1cccc(C2CCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.64
DRD3 P35462 2/20 0.51
HDAC4 P56524 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
BRAF P15056 1/20 0.45
SERPINE1 P05121 1/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
ATM Q13315 1/20 0.41
RIPK1 Q13546 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
NFKB1 P19838 1/20 0.40
PRCP P42785 1/20 0.40
EBP Q15125 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL3787686 0.93 KMO (0.54) KMODRD3HDAC4HDAC2HDAC8
SCHEMBL29224145 0.86 HTR2C (0.54) KMODRD3BRAFSIGMAR1
SCHEMBL25340114 0.86 KMO (0.48) KMODRD3BRAFHCRTR1HCRTR2
SCHEMBL30945941 0.86 HTR2C (0.54) KMODRD3BRAFSIGMAR1
SCHEMBL19862476 0.81 KMO (0.70) KMODRD3HDAC4HDAC2HDAC8
SCHEMBL19865864 0.80 KMO (0.59) KMODRD3HDAC4HDAC2HDAC8
SCHEMBL5390528 0.80 KMO (0.59) KMODRD3ATM
SCHEMBL9338681 0.80 KMO (0.73) KMODRD3HDAC4HDAC2HDAC8
SCHEMBL6051833 0.80 KMO (0.96) KMODRD3HDAC4HDAC2HDAC8
SCHEMBL11022782 0.80 HAO1 (0.61) HDAC8HAO1NFKB1

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-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 US disclosed
US-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 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-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS PLG, PPARG, PKLR KMO 359/4885DRD3 3782/4885HDAC4 3175/4885

“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.