SCHEMBL3812917

SCHEMBL3812917

CCOC(CSc1cccc(C)c1)OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.38
ACHE P22303 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
MAOB P27338 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
DHFR P00374 1/20 0.33
FFAR1 O14842 1/20 0.33
IDO1 P14902 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
SCHEMBL7422121 0.83 MAOA (0.40) MAOAACHENPC1RAB9AKMT2A
SCHEMBL1868023 0.82 MAOA (0.59) MAOAMTNR1AMTNR1BMAOBCYP3A4
SCHEMBL6605400 0.82 MAOA (0.37) MAOAACHEPTGER1PTGFRSMN1; SMN2
SCHEMBL22468935 0.82 BACE1 (0.44) MAOAKMT2AMTNR1AMTNR1BMAOB
SCHEMBL7867405 0.82 EPHX1 (0.40) MAOAMAOBPOLBDHFR
SCHEMBL14044603 0.81 L3MBTL1 (0.35) NPC1RAB9AKMT2ASMN1; SMN2MTNR1A
SCHEMBL20040647 0.81 TP53 (0.45) MAOANPC1KMT2ASMN1; SMN2MTNR1A
SCHEMBL228468 0.81 MTNR1A (0.53) MAOAACHEMTNR1AMTNR1BMAOB
SCHEMBL12135641 0.80 MAOA (0.52) MAOANPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL3483258 0.79 ALDH1A1 (0.37) MAOANPC1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018019-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP 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-12018019-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 MAOA 2604/4885ACHE 4033/4885NPC1 1337/4885

“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.