SCHEMBL10195646

SCHEMBL10195646

CCOc1c([N+](=O)[O-])cc(C(=O)OCCCCCCOC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
ESR1 P03372 2/20 0.40
CA12 O43570 6/20 0.40
CA9 Q16790 6/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
PLA2G4B P0C869 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37

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
SCHEMBL866321 0.95 CA12 (0.40) MAOBESR1CA12CA9CA1
SCHEMBL866320 0.95 CA12 (0.40) MAOBESR1CA12CA9CA1
SCHEMBL5019478 0.93 CA12 (0.39) MAOBESR1CA12CA9CA1
SCHEMBL679261 0.93 CA12 (0.43) ESR1CA12CA9CA1CA2
SCHEMBL14019149 0.90 CA12 (0.39) ESR1CA12CA9CA1CA2
SCHEMBL10195649 0.87 CYP1A1 (0.41) MAOBESR1CA12CA9CYP1A1
SCHEMBL679803 0.87 ALOX5 (0.41) MAOBCA12CA9CA1CA2
SCHEMBL867176 0.87 ALOX5 (0.41) MAOBCA12CA9CA1CA2
SCHEMBL679343 0.82 NPC1 (0.52) ESR1CYP1A1CYP1B1MAPTMEN1
SCHEMBL10195647 0.82 NPC1 (0.52) ESR1CYP1A1CYP1B1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329823-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-12-11 US disclosed
US-8329823-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-12-11 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 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-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAOB 286/4885ESR1 3182/4885CA12 1753/4885

“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.