SCHEMBL5584930

SCHEMBL5584930

Cc1cc(-c2cc3c(O)cccc3o2)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.44
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 4/20 0.38
CYP3A4 P08684 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38
AR P10275 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5584476 0.79 F2RL3 (0.49) F2RL3ALDH1A1KDM4ETSHRMEN1
SCHEMBL5584352 0.79 F2RL3 (0.42) F2RL3KDM4EMEN1CYP3A4MAPT
SCHEMBL5584746 0.77 F2RL3 (0.43) F2RL3ALDH1A1KDM4EUSP2TSHR
SCHEMBL5584909 0.77 L3MBTL1 (0.47) F2RL3KDM4EMEN1CYP3A4MAPT
SCHEMBL28382544 0.74 ATM (0.47) F2RL3ALDH1A1KDM4EMEN1CYP3A4
SCHEMBL30176877 0.74 ATM (0.47) F2RL3ALDH1A1KDM4EMEN1CYP3A4
SCHEMBL5584885 0.74 F2RL3 (0.50) F2RL3ALDH1A1KDM4ETSHRMEN1
SCHEMBL5584732 0.74 F2RL3 (0.45) F2RL3ALDH1A1KDM4EMEN1CYP3A4
SCHEMBL5585018 0.73 ALDH1A1 (0.46) F2RL3ALDH1A1TSHRMEN1CYP3A4
SCHEMBL428470 0.73 F2RL3 (0.41) F2RL3ALDH1A1KDM4EMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 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 (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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885ALDH1A1 443/4885KDM4E 610/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885ALDH1A1 443/4885KDM4E 610/4885

“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.