SCHEMBL4884411

SCHEMBL4884411

COc1ccc(C2CC(=O)Oc3ccc(C)cc32)cc1C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
HPGD P15428 5/20 0.57
GLA P06280 1/20 0.57
MAPT P10636 7/20 0.55
THRB P10828 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH2 P05091 1/20 0.50
ALOX12 P18054 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4884399 0.86 ALDH1A1 (0.63) ALDH1A1HPGDGLAMAPTMEN1
SCHEMBL9226526 0.80 ALDH1A1 (0.77) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5269218 0.78 ALDH1A1 (0.79) ALDH1A1HPGDGLAMAPTTHRB
SCHEMBL5269737 0.78 ALDH1A1 (0.79) ALDH1A1HPGDGLAMAPTTHRB
SCHEMBL820663 0.78 ALDH1A1 (0.79) ALDH1A1HPGDGLAMAPTTHRB
SCHEMBL24781206 0.75 ALDH1A1 (0.57) ALDH1A1HPGDGLAMAPTTHRB
SCHEMBL24781207 0.75 ALDH1A1 (0.57) ALDH1A1HPGDGLAMAPTTHRB
SCHEMBL9229590 0.73 ALDH1A1 (0.63) ALDH1A1HPGDMAPTTHRBMEN1
SCHEMBL28277817 0.72 ALDH1A1 (0.83) ALDH1A1HPGDGLAMAPTTHRB
SCHEMBL19760402 0.72 ALDH1A1 (0.60) ALDH1A1HPGDMAPTMEN1KMT2A

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 1210/4885HPGD 584/4885GLA 4561/4885

“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.