SCHEMBL18673435

SCHEMBL18673435

CCOC(=O)c1nn(-c2cccc(C)c2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 17/20 0.66
▸ F2 P00734 1/20 0.56
▸ PLAU P00749 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL16532681 0.88 ELANE (0.56) ELANEF2PLAUALDH1A1
SCHEMBL18673502 0.88 ELANE (0.65) ELANEF2PLAUALDH1A1
SCHEMBL12069238 0.81 SCN9A (0.70) ELANEF2PLAUALDH1A1
SCHEMBL13885817 0.80 ALDH1A1 (0.62) ELANEF2PLAUALDH1A1NPC1
SCHEMBL3346981 0.79 ELANE (0.62) ELANEF2PLAU
SCHEMBL6705737 0.76 ELANE (0.70) ELANEF2PLAU
SCHEMBL18673618 0.76 ELANE (0.46) ELANEALDH1A1NPC1POLBSMN1; SMN2
SCHEMBL17782595 0.76 ELANE (0.59) ELANEF2PLAUPOLB
SCHEMBL12069050 0.75 ELANE (0.66) ELANEF2PLAUALDH1A1
SCHEMBL14659429 0.75 ADORA1 (0.84) ALDH1A1

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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — 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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885F2 1432/4885PLAU 4860/4885

“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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