SCHEMBL4989115

SCHEMBL4989115

CC(=O)Oc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.41
KDM4E B2RXH2 4/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 5/20 0.40
CYP3A4 P08684 2/20 0.39
ACHE P22303 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALK Q9UM73 2/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
NR1H2 P55055 2/20 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
SCHEMBL13578396 0.81 MAPT (0.47) NCEH1KDM4EGLAGAAPOLB
SCHEMBL5004232 0.79 PDK2 (0.43) KDM4ECA9LMNACYP3A4MAPT
SCHEMBL29403081 0.78 PDK2 (0.44) CA9
SCHEMBL204806 0.78 PDK2 (0.44) CA9
SCHEMBL29587737 0.78 PDK2 (0.44) CA9
SCHEMBL29061596 0.78 ALK (0.34) NCEH1CA9ALK
SCHEMBL6536469 0.77 METAP1 (0.45) NCEH1KDM4EPOLBLMNACYP3A4
SCHEMBL14682554 0.77 PDK2 (0.36) CA9ALK
SCHEMBL29061594 0.77 ALK (0.37) CA9ALK
SCHEMBL4998169 0.76 MAPT (0.47) CA9LMNAMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications MEMPILE INC. (DE) 2008-05-22 US disclosed
EP-1842097-A1 COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS Mempile Inc. (US) 2007-10-10 EP disclosed
WO-2006075328-A1 COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS MEMPILE INC. (US) 2006-07-20 WO 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-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications HTR3D, CRY2, CNDP2 NCEH1 1985/4885KDM4E 2254/4885CA12 1468/4885

“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.