SCHEMBL19732791

SCHEMBL19732791

CCC(CC)c1cccc(=O)n1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.44
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
LMNA P02545 3/20 0.34
DAO P14920 2/20 0.34
PKM P14618 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
BACE1 P56817 1/20 0.33
POLB P06746 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL22844949 0.90 IDH1 (0.40) IDH1MMP1MMP3MMP7MMP9
SCHEMBL19732504 0.85 IDH1 (0.44) IDH1MMP1MMP3MMP7MMP9
SCHEMBL20365976 0.80 PTGER1 (0.43) IDH1MMP9MMP12
SCHEMBL31491480 0.78 CA12 (0.34) IDH1LMNACTSDCTSEBACE1
SCHEMBL19732569 0.69 IDH1 (0.58) IDH1LMNADAOPKM
SCHEMBL24120771 0.67 IDH1 (0.62) IDH1LMNADAOPKM
SCHEMBL12628155 0.67 HDAC4 (0.40) IDH1LMNAHDAC8POLBHDAC4
SCHEMBL795234 0.66
SCHEMBL23879792 0.65 IDH1 (0.55) IDH1MMP1MMP3MMP7MMP9
SCHEMBL23969295 0.65 KDM4E (0.38) IDH1LMNAPKMPOLB

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-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 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 (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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM IDH1 613/4885MMP1 4426/4885MMP3 3182/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM IDH1 613/4885MMP1 4426/4885MMP3 3182/4885

“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.