SCHEMBL1280000

SCHEMBL1280000

CCCC(C)N1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.51
USP2 O75604 1/20 0.50
KDM4E B2RXH2 2/20 0.48
CHEK1 O14757 2/20 0.44
OPRD1 P41143 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HDAC3 O15379 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
OPRM1 P35372 1/20 0.42
ENPP2 Q13822 1/20 0.41
CASR P41180 3/20 0.41

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
SCHEMBL1305616 0.82 KDM4E (0.64) RAD52USP2KDM4ECHEK1ALDH1A1
SCHEMBL23133806 0.82 DRD2 (0.54) RAD52KDM4EALDH1A1OPRM1
Hydrochloric Acid SCHEMBL4652172 0.80 KDM4E (0.62) RAD52USP2KDM4ECHEK1ALDH1A1
SCHEMBL27457690 0.78 RAD52 (0.61) RAD52USP2KDM4EALDH1A1MAPT
SCHEMBL17737082 0.78 KDM4E (0.71) USP2KDM4ECHEK1ALDH1A1MAPT
SCHEMBL23610369 0.78 KDM4E (0.71) USP2KDM4ECHEK1ALDH1A1MAPT
SCHEMBL4553749 0.77 KDM4E (0.57) RAD52USP2KDM4ECHEK1ALDH1A1
SCHEMBL1708824 0.76 BCHE (0.47) RAD52KDM4EMAPT
SCHEMBL22751990 0.76 CHKA (0.47) RAD52KDM4EALDH1A1MAPTPKM
SCHEMBL1305865 0.76 DRD2 (0.65) USP2KDM4ECHEK1ALDH1A1MAPT

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-8287969-B2 Isosorbide derivatives and liquid crystal displays comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-10-16 US disclosed
CN-102453037-A Isosorbide derivative and liquid crystal display comprising the same IND TECH RES INST 2012-05-16 CN disclosed
US-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-04-12 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-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME CX3CR1, CBX3, YBX3 RAD52 3660/4885USP2 3415/4885KDM4E 4631/4885

“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.