SCHEMBL4447199

SCHEMBL4447199

CC(CBr)C(C)(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.36
ALOX15 P16050 1/20 0.35
RIPK1 Q13546 1/20 0.35
KCNN4 O15554 3/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP1A2 P05177 1/20 0.34
TRPA1 O75762 1/20 0.33

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
SCHEMBL6682969 0.80 KIF11 (0.42) CYP2D6CYP3A4ALDH1A1CYP2C19TAAR1
SCHEMBL28312162 0.78 CYP2D6 (0.44) CYP2D6CYP3A4ALDH1A1CYP2C19TAAR1
SCHEMBL28500872 0.78 CYP2D6 (0.41) CYP2D6CYP3A4ALDH1A1CYP2C19TAAR1
SCHEMBL15821748 0.78 CYP2D6 (0.41) CYP2D6CYP3A4ALDH1A1CYP2C19TAAR1
SCHEMBL336626 0.77 CYP2D6 (0.40) CYP2D6CYP3A4ALDH1A1CYP2C19TAAR1
SCHEMBL6546209 0.77 SIGMAR1 (0.48) CYP2D6TAAR1MAPK1TRPA1
Hydrogen Peroxide SCHEMBL9456643 0.75 ALDH1A1 (0.42) CYP2D6CYP3A4ALDH1A1CYP2C19TAAR1
SCHEMBL4354021 0.75 MAPK1 (0.42) CYP2D6CYP3A4ALDH1A1CYP2C19TAAR1
SCHEMBL9279074 0.74 MAPK1 (0.46) CYP2D6CYP3A4ALDH1A1CYP2C19TAAR1
SCHEMBL575235 0.74 MAPK1 (0.46) CYP2D6CYP3A4ALDH1A1CYP2C19TAAR1

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
US-20090131660-A1 SYNTHESIS OF 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND cis-4--2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) GALDERMA S.A. (CH) 2009-05-21 US disclosed
EP-2007742-A1 PROCESS FOR PRODUCING 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND CIS-4-{3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPYL}-2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) Galderma S.A. (CH) 2008-12-31 EP disclosed
WO-2007113218-A1 PROCESS FOR PRODUCING 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND CIS-4-{3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPYL}-2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) GALDERMA S.A. (CH) 2007-10-11 WO disclosed
EP-1842848-A1 Process for producing 3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propionaldehyde and cis-4{3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propyl}-2,6-dimethyl-morpholine (amorolfine) Galderma S.A. (CH) 2007-10-10 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 (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-20090131660-A1 SYNTHESIS OF 3-[4-(1,1-DIMETHYL-PROPYL)-PHENYL]-2-METHYL-PROPIONALDEHYDE AND cis-4--2,6-DIMETHYL-MORPHOLINE (AMOROLFINE) PDK2, EML4, DEK CYP2D6 169/4885CYP3A4 336/4885ALDH1A1 104/4885

“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.