SCHEMBL17540309

SCHEMBL17540309

C=Cc1ccc(CN(C)CC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ KCNH2 Q12809 3/20 0.34
▸ CNR2 P34972 1/20 0.32
▸ LSS P48449 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL6391713 0.83 PYCR1 (0.50) PYCR1ALDH1A1LSSHRH3BCHE
SCHEMBL18868383 0.81 PYCR1 (0.48) PYCR1ALDH1A1LSSHRH3BCHE
SCHEMBL17540312 0.78 ACHE (0.37) PYCR1ALDH1A1LSSBCHEACHE
SCHEMBL12749574 0.78 PYCR1 (0.52) PYCR1KCNH2HRH3
SCHEMBL3285070 0.78 PYCR1 (0.46) PYCR1ALDH1A1LSSHRH3ACHE
SCHEMBL8521309 0.77 PYCR1 (0.44) PYCR1ALDH1A1LSSHRH3BCHE
SCHEMBL4632355 0.77 PYCR1 (0.41) PYCR1ALDH1A1HRH3
SCHEMBL17409806 0.77 BCHE (0.49) PYCR1ALDH1A1HRH3BCHEACHE
SCHEMBL21962259 0.77 PYCR1 (0.53) PYCR1ALDH1A1LSS
SCHEMBL18868390 0.77 SIGMAR1 (0.44) PYCR1ALDH1A1KCNH2BCHEACHE

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-20160052877-A1 SALT, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-25 — — 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-20160052877-A1 SALT, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN RER1, AFF1, FRG1 PYCR1 2705/4885ALDH1A1 2206/4885KCNH2 313/4885

“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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