SCHEMBL2847709

SCHEMBL2847709

C=CCC1CC2CCC(C3CCC(c4ccc(F)c(F)c4)CC3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
USP5 P45974 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CCR2 P41597 1/20 0.34
USP30 Q70CQ3 1/20 0.33
KDM1A O60341 3/20 0.32
MAOB P27338 1/20 0.32
HCRTR2 O43614 2/20 0.31
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30

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
SCHEMBL2850888 0.99 HTR2A (0.37) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL2850582 0.92 CCR2 (0.35) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL9349604 0.92 USP5 (0.35) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL9349590 0.92 USP5 (0.35) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL9979962 0.92 USP5 (0.35) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL9250171 0.92 USP5 (0.35) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL9349609 0.92 USP5 (0.35) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL2850477 0.90 KDM1A (0.32) HTR2AHTR2CHTR2BCCR2KDM1A
SCHEMBL2850922 0.88 KDM1A (0.33) HTR2AHTR2CHTR2BCCR2KDM1A
SCHEMBL2845403 0.87 HTR2A (0.37) HTR2AHTR2CHTR2BUSP5HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON-CHEMIE AG (LI) 2010-10-21 US disclosed
EP-1896552-B1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON CHEMIE AG (LI) 2010-05-19 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-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES FLI1, F12, GTF2I HTR2A 1591/4885HTR2C 661/4885HTR2B 2270/4885

“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.