SCHEMBL3555353

SCHEMBL3555353

C=Cc1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.38
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
APEX1 P27695 1/20 0.35
GPR3 P46089 1/20 0.33
CNR1 P21554 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP3 P08254 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL3553115 1.00 PDK2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL28643159 1.00 PDK2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL28641127 1.00 PDK2 (0.38) PDK2MMP2MMP9MMP8MMP13
Naphthalene SCHEMBL28000573 0.96 PDK2 (0.36) PDK2MMP2MMP9MMP8MMP13
SCHEMBL28036056 0.93 MMP2 (0.33) PDK2MMP2MMP9MMP8MMP13
SCHEMBL3786364 0.93 MMP2 (0.33) PDK2MMP2MMP9MMP8MMP13
SCHEMBL29564428 0.93 MMP2 (0.33) PDK2MMP2MMP9MMP8MMP13
SCHEMBL3556723 0.92 MMP2 (0.35) PDK2MMP2MMP9MMP8MMP13
SCHEMBL2601875 0.86 MMP2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL1356093 0.86 MMP2 (0.38) PDK2MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113817090-B Triterpyridine-based transition metal ion fluorescence chemical sensor and preparation method thereof 青岛科技大学 2022-10-25 CN disclosed
CN-113817090-A Triterpyridine-based transition metal ion fluorescence chemical sensor and preparation method thereof 青岛科技大学 2021-12-21 CN disclosed
US-7663301-B2 for use as robust red organic phosphors GENERAL ELECTRIC COMPANY (US) 2010-02-16 US disclosed
US-7663301-B2 for use as robust red organic phosphors GENERAL ELECTRIC COMPANY (US) 2010-02-16 US disclosed
WO-2006076247-A3 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GEN ELECTRIC (US) 2006-08-31 WO disclosed
WO-2006076247-A2 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-20 WO disclosed
WO-2006076247-A2 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-20 WO disclosed
US-20060152149-A1 Porphyrin compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 US disclosed
US-20060152149-A1 Porphyrin compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 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-20060152149-A1 Porphyrin compositions ACP1, MMS19, MVD PDK2 1743/4885MMP2 4448/4885MMP9 4079/4885

“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.