SCHEMBL3602309

SCHEMBL3602309

O=C1c2ccccc2CC1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
CYP19A1 P11511 2/20 0.43
METAP1 P53582 4/20 0.43
SIGMAR1 Q99720 2/20 0.43
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL9495652 0.86 MEN1 (0.45) ACHEMETAP1MAPT
SCHEMBL31185489 0.84 IDO1 (0.42) ACHECYP19A1METAP1SIGMAR1KDM4E
SCHEMBL27532854 0.84 ALDH1A1 (0.52) ACHECYP19A1SIGMAR1PSEN1PSEN2
SCHEMBL27675006 0.82 MAOB (0.43) ACHECYP19A1METAP1SIGMAR1TDP1
SCHEMBL15670682 0.80 ACHE (0.53) ACHECYP19A1METAP1MAPTTSHR
SCHEMBL9740101 0.77 ACHE (0.50) ACHECYP19A1METAP1KDM4EALDH1A1
SCHEMBL9495668 0.77 ACHE (0.55) ACHECYP19A1KDM4EMAPT
SCHEMBL11289312 0.75 ACHE (0.44) ACHECYP19A1METAP1KDM4EALDH1A1
SCHEMBL10650245 0.75 CYSLTR1 (0.43) ACHEALDH1A1MAPT
SCHEMBL3870840 0.75 ACHE (0.50) ACHECYP19A1METAP1TSHR

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
US-8541475-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2013-09-24 US disclosed
US-20100168068-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2010-07-01 US disclosed
US-7649115-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2010-01-19 US disclosed
EP-1890690-A2 MAO-B INHIBITORS USEFUL FOR TREATING ABESITY Jenrin Discovery (US) 2008-02-27 EP disclosed
US-20070088004-A1 Monoamine oxidase-B inhibitors; , and/or cardiometabolic disorders ( hypertension, dyslipidemias, high blood pressure, and insulin resistance); JENRIN DISCOVERY, INC. 2007-04-19 US disclosed
WO-2006130707-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-07 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 (2 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-20070088004-A1 Monoamine oxidase-B inhibitors; , and/or cardiometabolic disorders ( hypertension, dyslipidemias, high blood pressure, and insulin resistance); MAOB, MAOA, APOB ACHE 526/4885CYP19A1 85/4885METAP1 433/4885
US-20100168068-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ACHE 717/4885CYP19A1 32/4885METAP1 500/4885

“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.