SCHEMBL18409943

SCHEMBL18409943

CC(C)(C)OC(=O)N1CCCC1c1ccc(CF)nc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RIPK1 Q13546 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL30006360 0.90 ALDH1A1 (0.45) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL23530227 0.90 ALDH1A1 (0.45) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL18406187 0.83 HRH3 (0.44) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL24493477 0.82 TSHR (0.46) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30620837 0.82 ALOX5AP (0.46) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL18409807 0.82 RIPK1 (0.48) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL13388309 0.81 TSHR (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30476145 0.79 ALOX5AP (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30541398 0.79 TSHR (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1791760 0.78 RIPK1 (0.51) ALDH1A1TSHRLMNAMEN1KMT2A

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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC ALDH1A1 149/4885TSHR 3708/4885LMNA 4743/4885

“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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