SCHEMBL224910

SCHEMBL224910

CCCCCC1(c2ccc(-c3ccc(O)cc3)cc2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.57
CNR1 P21554 4/20 0.57
SLC6A4 P31645 8/20 0.47
SLC6A3 Q01959 8/20 0.47
SLC6A2 P23975 6/20 0.47
ESR1 P03372 4/20 0.43
ESR2 Q92731 3/20 0.43
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
TACR2 P21452 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 1/20 0.38

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
SCHEMBL4564526 0.95 CNR2 (0.58) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL5678460 0.94 CNR2 (0.60) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL5682331 0.91 CNR2 (0.52) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL4653174 0.89 CNR2 (0.54) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL8026753 0.87 CNR1 (0.55) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9399121 0.87 CNR2 (0.57) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL11524018 0.86 SLC6A4 (0.63) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL6458783 0.85 CNR2 (0.51) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9863889 0.85 CNR1 (0.51) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL12002346 0.84 ESR1 (0.52) CNR2CNR1SLC6A4SLC6A3SLC6A2

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-8431039-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-04-30 US disclosed
WO-2013022607-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2013-02-14 WO disclosed
US-20120002141-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 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-20120002141-A1 MESOGENIC STABILIZERS BMI1, METTL14, PYM1 CNR2 916/4885CNR1 596/4885SLC6A4 2911/4885

“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.