SCHEMBL29533683

SCHEMBL29533683

c1ccc2c(c1)CCCCc1ccc3c(c1-2)C3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 2/20 0.44
CYP2A6 P11509 1/20 0.44
MAOB P27338 1/20 0.44
NOS3 P29474 1/20 0.39
CES1 P23141 1/20 0.39
MAP3K9 P80192 1/20 0.38
MAP3K11 Q16584 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
G6PC1 P35575 1/20 0.36
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
DRD4 P21917 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34

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
SCHEMBL28852797 0.78 TSHR (0.44) TSHRHPGDL3MBTL1MAOACYP2A6
SCHEMBL31430380 0.75 TSHR (0.71) TSHRHPGDL3MBTL1MAOACYP2A6
SCHEMBL568779 0.75 TSHR (0.71) TSHRHPGDL3MBTL1MAOACYP2A6
SCHEMBL29535100 0.74 TSHR (0.62) TSHRCYP2A6BCL2L1BADDRD4
SCHEMBL30436120 0.73 TSHR (0.67) TSHRHPGDL3MBTL1MAOACYP2A6
SCHEMBL30668198 0.73 TSHR (0.67) TSHRHPGDL3MBTL1MAOACYP2A6
SCHEMBL31135519 0.73 TSHR (0.67) TSHRHPGDL3MBTL1MAOACYP2A6
SCHEMBL31621255 0.73 TSHR (0.67) TSHRHPGDL3MBTL1MAOACYP2A6
SCHEMBL29593589 0.73 TSHR (0.67) TSHRHPGDL3MBTL1MAOACYP2A6
SCHEMBL30731351 0.73 TSHR (0.67) TSHRHPGDL3MBTL1MAOACYP2A6

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-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS Frequency Therapeutics, Inc. (US) 2022-05-05 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-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 TSHR 2727/4885HPGD 1754/4885L3MBTL1 2809/4885

“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.