SCHEMBL12768403

SCHEMBL12768403

C=C(C)C(=O)OCCCCCC(=O)OCCCCCCOc1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TSHR P16473 3/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ PLA2G4B P0C869 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ DGKA P23743 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL12768420 0.97 POLB (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL13882618 0.95 POLB (0.53) POLBAPEX1HTTTDP1TSHR
SCHEMBL19294804 0.95 POLB (0.53) POLBAPEX1HTTTDP1TSHR
SCHEMBL9480987 0.94 POLB (0.51) POLBAPEX1HTTTDP1TSHR
SCHEMBL9480980 0.94 POLB (0.51) POLBAPEX1HTTTDP1TSHR
SCHEMBL1532003 0.93 POLB (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL1531902 0.93 POLB (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL13531287 0.93 POLB (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL1927971 0.93 POLB (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL12768417 0.93 POLB (0.47) POLBAPEX1HTTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910019-B2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2011-03-22 — — US disclosed
US-20100014010-A1 FORMULATIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-01-21 — — US disclosed
US-20090326186-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-31 — — US disclosed
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-31 — — 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 (3 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-20100014010-A1 FORMULATIONS COMPRISING MESOGEN CONTAINING COMPOUNDS MYOC, RARG, MTX2 POLB 496/4885APEX1 3448/4885HTT 794/4885
US-20090326186-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG POLB 297/4885APEX1 2951/4885HTT 1202/4885
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG POLB 297/4885APEX1 2951/4885HTT 1202/4885

“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.

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