SCHEMBL5584152

SCHEMBL5584152

CC(=O)c1cc2c(O)cccc2o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 3/20 0.65
GAA P10253 2/20 0.65
MAPT P10636 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MEN1 O00255 1/20 0.65
POLB P06746 1/20 0.65
ALOX12 P18054 1/20 0.65
KMT2A Q03164 1/20 0.65
KDM4C Q9H3R0 1/20 0.65
LMNA P02545 2/20 0.49
GLA P06280 2/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 1/20 0.49
BRCA1 P38398 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
STAT3 P40763 3/20 0.48
CA12 O43570 2/20 0.46

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
SCHEMBL27512419 0.84 CSNK2A1 (0.59) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL3484205 0.84 KDM4E (0.45) KDM4EALDH1A1HSD17B10GAAMAPT
Methane SCHEMBL27891504 0.82 CSNK2A1 (0.57) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL3621261 0.81 CA12 (0.50) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL5584615 0.81 NPC1 (0.51) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL18313718 0.81 KDM4E (0.54) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL18313612 0.81 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL21951007 0.81 KDM4E (0.54) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL15920417 0.79 POLH (0.58) KDM4EALDH1A1HSD17B10MAPTMEN1
SCHEMBL20189138 0.79 LMNA (0.54) KDM4EALDH1A1HSD17B10GAAMAPT

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 7 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
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
US-4056626-A ADRENERGIC BLOCKING AGENTS KAKENYAKU KAKO CO., LTD. (JA) 1977-11-01 US 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 KDM4E 610/4885ALDH1A1 443/4885HSD17B10 2091/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KDM4E 610/4885ALDH1A1 443/4885HSD17B10 2091/4885

“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.