SCHEMBL2601875

SCHEMBL2601875

CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(C=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
APEX1 P27695 1/20 0.38
PDK2 Q15119 5/20 0.38
TDP1 Q9NUW8 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP3 P08254 1/20 0.33
GPR3 P46089 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
PTPN11 Q06124 1/20 0.32
CNR1 P21554 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
SCHEMBL14750205 1.00 MMP2 (0.38) MMP2MMP9MMP8MMP13APEX1
SCHEMBL1356093 1.00 MMP2 (0.38) MMP2MMP9MMP8MMP13APEX1
SCHEMBL14750260 1.00 MMP2 (0.38) MMP2MMP9MMP8MMP13APEX1
SCHEMBL9101904 0.93 MMP2 (0.36) MMP2MMP9MMP8MMP13TDP1
SCHEMBL18894239 0.93 MMP2 (0.36) MMP2MMP9MMP8MMP13TDP1
SCHEMBL851336 0.93 MMP2 (0.36) MMP2MMP9MMP8MMP13TDP1
SCHEMBL30435044 0.93 MMP2 (0.36) MMP2MMP9MMP8MMP13TDP1
SCHEMBL6658545 0.93 MMP2 (0.36) MMP2MMP9MMP8MMP13TDP1
SCHEMBL26109311 0.90 MMP2 (0.35) MMP2MMP9MMP8MMP13TDP1
Benzaldehyde SCHEMBL28219884 0.87 APEX1 (0.44) MMP2MMP9MMP8MMP13APEX1

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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS OCIAD2, OCIAD1, NONO MMP2 4820/4885MMP9 2459/4885MMP8 4610/4885

“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.