SCHEMBL18376106

SCHEMBL18376106

C=C(/C=C(CC(C)(C)C)\C(C)=C/NC)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 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
SCHEMBL17643583 0.89 POLB (0.34) POLBHTTSMN1; SMN2GAAMAPT
SCHEMBL18059283 0.89 POLB (0.33) POLBGAAMAPTHPGDRAB9A
SCHEMBL17518762 0.84 ATM (0.33) —
SCHEMBL17541750 0.81 MAPT (0.33) SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL16603298 0.79 MTNR1A (0.31) —
SCHEMBL16627767 0.79 MEN1 (0.38) POLBHTTSMN1; SMN2GAAMAPT
SCHEMBL17518763 0.76 ATM (0.35) SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL18376077 0.75 CES1 (0.35) HTTSMN1; SMN2MAPTHPGDRAB9A
SCHEMBL16603162 0.72 MAPT (0.35) HTTSMN1; SMN2MAPTHPGDRAB9A
SCHEMBL16603267 0.72 MAOA (0.35) HTTSMN1; SMN2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170012223-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-01-12 — — 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-20170012223-A1 Organic Electroluminescent Materials and Devices EML4, MT-ND4L, MT-ND4 POLB 1211/4885HTT 1519/4885SMN1; SMN2 4000/4885

“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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