SCHEMBL5050441

SCHEMBL5050441

CC1(C)CC(c2ccc(Oc3ccccc3)cc2N2CCN(CC3CC3)CC2)CC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
KDM2B Q8NHM5 6/20 0.41
TNK2 Q07912 1/20 0.39
PPARG P37231 1/20 0.37
DRD2 P14416 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL4260663 0.99 MMP2 (0.42) MMP2MMP9KDM2BTNK2PPARG
Hydrochloric Acid SCHEMBL4855829 0.86 OPRM1 (0.42) KDM2BDRD2
SCHEMBL14300619 0.84 DRD2 (0.40) DRD2
SCHEMBL13806210 0.83 FFAR4 (0.42) DRD2
SCHEMBL4250219 0.82 DRD2 (0.39) DRD2
SCHEMBL1448996 0.82 HTR1A (0.41) DRD2
Hydrochloric Acid SCHEMBL4253381 0.82 FFAR4 (0.42) DRD2
SCHEMBL13806208 0.82 HTR7 (0.40) KDM2BDRD2ALDH1A1
SCHEMBL13806249 0.82 DRD2 (0.38) DRD2
Bromide SCHEMBL1448552 0.81 HTR1A (0.40) DRD2

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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 MMP2 154/4885MMP9 176/4885KDM2B 1463/4885

“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.