SCHEMBL18938857

SCHEMBL18938857

COc1ccc(CN(Cc2ccccc2)Cc2ccc(C=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP2A6 P11509 1/20 0.59
▸ G6PC1 P35575 1/20 0.56
▸ LTA4H P09960 1/20 0.56
▸ MAPK1 P28482 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ ACHE P22303 3/20 0.51
▸ TRPM8 Q7Z2W7 1/20 0.51
▸ BCHE P06276 2/20 0.50
▸ SNCA P37840 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TRPA1 O75762 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL28778941 0.87 LTA4H (0.67) G6PC1LTA4HMAPK1TSHRACHE
SCHEMBL16701049 0.87 LTA4H (0.67) G6PC1LTA4HMAPK1TSHRACHE
SCHEMBL22340700 0.82 TSHR (0.75) G6PC1LTA4HMAPK1TSHRACHE
SCHEMBL16516685 0.82 CNR2 (0.53) ALDH1A1CYP2A6MAPK1TSHRACHE
Anisaldehyde SCHEMBL6814373 0.81 ALDH1A1 (0.83) ALDH1A1CYP2A6LTA4HBCHETDP1
Anisaldehyde SCHEMBL20357563 0.81 ALDH1A1 (0.83) ALDH1A1CYP2A6LTA4HBCHETDP1
SCHEMBL20902753 0.80 ALDH1A1 (0.64) ALDH1A1TSHRACHEBCHENPC1
SCHEMBL9607336 0.79 ALDH1A1 (0.79) ALDH1A1CYP2A6LTA4HTSHRTDP1
SCHEMBL5270803 0.79 APLNR (0.59) ALDH1A1LTA4HMAPK1TSHRACHE
SCHEMBL12049800 0.79 APLNR (0.59) ALDH1A1LTA4HMAPK1TSHRACHE

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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 — — 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 ALDH1A1 1367/4885CYP2A6 3367/4885G6PC1 3083/4885

“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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