SCHEMBL12856705

SCHEMBL12856705

Cc1cc2c(O)c(c1)Cc1cccc3c1OCCOCCOCCOCCOc1c(cccc1Cc1cc(C)cc(c1O)C3)C2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CRHBP P24387 2/20 0.32
▸ CRHR2 Q13324 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPN P05981 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL12856706 0.87 SMN1; SMN2 (0.39) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL12856782 0.84 LMNA (0.32) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL18538300 0.79 ACHE (0.39) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL12856719 0.79 ACHE (0.39) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL13287042 0.73 SELL (0.48) SMN1; SMN2LMNAGAAMEN1ALDH1A1
SCHEMBL13482001 0.73 DPP4 (0.38) SMN1; SMN2LMNAHTTGAAMEN1
SCHEMBL12856784 0.72 LMNA (0.35) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL12856781 0.70 GSTA1 (0.41) LMNAALDH1A1CYP3A4MAPTALOX15
SCHEMBL19762894 0.67 ING2 (0.68) SMN1; SMN2LMNAGAAMEN1USP2
SCHEMBL18538255 0.66 CRHBP (0.44) SMN1; SMN2CRHBPCRHR2HTTALDH1A1

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-20110028676-A1 Molecular Actuators, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-02-03 — — US disclosed
US-7658868-B2 Class of molecular actuators where bulk actuation mechanisms such as ion intercalation are enhanced by controllable single molecule conformational rearrangements offers promise in exhibiting large active strains at moderate stresses MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-09 — — US disclosed
US-20070215839-A1 Molecular actuators, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-09-20 — — 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-20070215839-A1 Molecular actuators, and methods of use thereof NOD2, PIEZO1, TPR SMN1; SMN2 4863/4885LMNA 3835/4885CRHBP 1080/4885

“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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