SCHEMBL4429458

SCHEMBL4429458

[CH2]Cc1ccc(C)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
KMT2A Q03164 2/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3764973 0.82 SLC6A2 (0.44) DAOHDAC1ACHEPTGS1PTGS2
SCHEMBL19599385 0.81 DAO (0.50) DAOKMT2AHDAC1HDAC6ACHE
SCHEMBL18551846 0.81 DAO (0.59) DAOKMT2AHDAC1HDAC6ACHE
SCHEMBL8747545 0.79 DAO (0.46) DAOHDAC1HDAC6ACHEMAPT
SCHEMBL7712089 0.79 DAO (0.45) DAOKMT2AHDAC1HDAC6ACHE
SCHEMBL13862873 0.79 DAO (0.45) DAOKMT2AHDAC1HDAC6ACHE
SCHEMBL126440 0.78 HTT (0.45) DAOALDH1A1RAB9A
SCHEMBL722216 0.78 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL716197 0.77 LOXL2 (0.46) DAOHDAC1HDAC6ACHESLC6A2
SCHEMBL119145 0.77 DAO (0.44) DAOKMT2AHDAC1HDAC6ACHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174297-B Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-07-12 CN disclosed
WO-2023088420-A1 1H-BENZO[B]AZEPIN-2(3H)-ONE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-05-25 WO disclosed
CN-114174297-A Estrogen receptor modulating compounds 雷迪厄斯制药公司 2022-03-11 CN disclosed
US-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function ACTELION PHARMACEUTICALS, LTD. (CH) 2009-03-26 US disclosed
EP-1998774-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION Actelion Pharmaceuticals Ltd. (CH) 2008-12-10 EP disclosed
WO-2007105177-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO 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-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function GRIN2A, BDNF, GRIN2C DAO 3100/4885KMT2A 295/4885HDAC1 1219/4885

“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.