SCHEMBL2474493

SCHEMBL2474493

COc1cccc(Cc2ccccc2C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GPR55 Q9Y2T6 2/20 0.47
CNR1 P21554 1/20 0.47
DHFR P00374 1/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
ABCB1 P08183 3/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
CMA1 P23946 1/20 0.45
IDO1 P14902 2/20 0.45

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
SCHEMBL12869628 0.84 LTA4H (0.56) MEN1ALDH1A1LMNAKMT2A
SCHEMBL20767529 0.81 LTA4H (0.53) ALDH1A1LMNAGPR55MTNR1AMTNR1B
SCHEMBL2962344 0.81 LTA4H (0.53) MEN1ALDH1A1LMNAPOLBMAPT
SCHEMBL17508266 0.80 TSHR (0.46) MEN1ALDH1A1LMNAKMT2AIDO1
SCHEMBL31739258 0.78 LTA4H (0.67) CHRM2CHRM1CHRM3CMA1IDO1
SCHEMBL2092574 0.78 LTA4H (0.67) CHRM2CHRM1CHRM3CMA1IDO1
SCHEMBL872046 0.78 LMNA (0.52) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL31588310 0.78 LMNA (0.52) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL25798793 0.78 ABCB1 (0.62) MEN1ALDH1A1KMT2AGPR55CNR1
SCHEMBL22784072 0.77 ABCB1 (0.60) ALDH1A1LMNAMAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233599-B Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2021-07-20 CN disclosed
CN-111233599-A Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2020-06-05 CN disclosed
EP-2159216-B1 3-BUTENYL-1-AMINE DERIVATIVES AND THEIR USE AS Ih MODULORS FOR THE TREATMENT OF PSYCHIATIRC DISORDERS ORGANON NV (NL) 2011-10-12 EP disclosed
EP-2159216-A1 Ih - Modulators N.V. Organon (NL) 2010-03-03 EP disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
CN-1275909-A In-modulators AKZO NOBEL NV (NL) 2000-12-06 CN disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 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-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 MEN1 3408/4885ALDH1A1 964/4885LMNA 1797/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 MEN1 3408/4885ALDH1A1 964/4885LMNA 1797/4885

“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.