SCHEMBL4884399

SCHEMBL4884399

COc1ccc(C)cc1C1CC(=O)Oc2ccc(C)cc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.63
MAPT P10636 9/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
TDP1 Q9NUW8 3/20 0.63
HPGD P15428 4/20 0.56
ALOX12 P18054 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RECQL P46063 1/20 0.55
GLA P06280 1/20 0.53
ALDH2 P05091 1/20 0.49

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
SCHEMBL9226526 0.91 ALDH1A1 (0.77) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL4884411 0.86 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL9229590 0.81 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL820663 0.77 ALDH1A1 (0.79) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL5269218 0.77 ALDH1A1 (0.79) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL5269737 0.77 ALDH1A1 (0.79) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9226101 0.76 ALDH1A1 (0.76) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL17414459 0.75 GAA (0.60) ALDH1A1MAPTMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL6777787 0.72 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL28277817 0.68 ALDH1A1 (0.83) ALDH1A1MAPTMEN1KMT2AHPGD

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
EP-1838659-B1 PROCESS FOR PREPARATION OF N,N-DIISOPROPYL-3-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROPYLAMINE LEK PHARMACEUTICALS (SI) 2015-07-15 EP disclosed
US-20080045602-A1 Process for Preparation of 3-(2-Hydroxy-5Methylphenyl)-N, N-Disopropyl-3-Phenylpropylamine LEK PHARMACEUTICALS, D.D. (SI) 2008-02-21 US disclosed
EP-1838659-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK Pharmaceuticals D.D. (SI) 2007-10-03 EP disclosed
WO-2006066931-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK PHARMACEUTICALS D.D. (SI) 2006-06-29 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 (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-20080045602-A1 Process for Preparation of 3-(2-Hydroxy-5Methylphenyl)-N, N-Disopropyl-3-Phenylpropylamine SLC6A3, PNMT, PIR ALDH1A1 1210/4885MAPT 3846/4885MEN1 2410/4885

“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.