SCHEMBL6665053

SCHEMBL6665053

O=CC1CCC(c2ccc(Br)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.41
BRD4 O60885 1/20 0.40
KDM1A O60341 5/20 0.36
KCNH2 Q12809 2/20 0.36
MAOB P27338 2/20 0.36
RCOR1 Q9UKL0 2/20 0.36
KDM1B Q8NB78 1/20 0.36
ESR2 Q92731 2/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
WDR5 P61964 1/20 0.34
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6853901 0.89 HDAC2 (0.43) HDAC2MAOBESR2HDAC8HDAC6
SCHEMBL6463683 0.83 KDM1A (0.34) HDAC2BRD4KDM1AKCNH2MAOB
SCHEMBL6463686 0.83 KDM1A (0.34) HDAC2BRD4KDM1AKCNH2MAOB
SCHEMBL265495 0.82 KDM1A (0.48) BRD4KDM1AKCNH2MAOBRCOR1
SCHEMBL14804315 0.82 KDM1A (0.48) BRD4KDM1AKCNH2MAOBRCOR1
SCHEMBL1506370 0.82 KDM1A (0.42) BRD4KDM1AKCNH2MAOBRCOR1
SCHEMBL1506333 0.82 KDM1A (0.42) BRD4KDM1AKCNH2MAOBRCOR1
SCHEMBL1506335 0.82 KDM1A (0.42) BRD4KDM1AKCNH2MAOBRCOR1
SCHEMBL9252545 0.80 MAP1LC3B (0.40) HDAC2KDM1AESR2
SCHEMBL9805549 0.80 DGAT1 (0.39) KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237849-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME Dongjin Semichem Co., Ltd., (KR) 2011-09-29 US disclosed
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed
EP-0893423-A1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-27 EP disclosed
EP-0471287-B1 Alkoxypropenyl derivatives HOFFMANN LA ROCHE (CH) 1995-06-21 EP disclosed
US-5288428-A Liquid crystal compounds having a terminal alkoxy propenyl group HOFFMANN-LA ROCHE INC. (US) 1994-02-22 US disclosed
EP-0471287-A1 Alkoxypropenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-02-19 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-20110237849-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME HCK, NLK, VRK1 HDAC2 3784/4885BRD4 1526/4885KDM1A 2979/4885

“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.