SCHEMBL5529419

SCHEMBL5529419

CCN(CC)C(C)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
BCHE P06276 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
CNR2 P34972 2/20 0.40
CALM1 P0DP23 1/20 0.40
LMNA P02545 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 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
Hydrochloric Acid SCHEMBL7123972 0.98 LTA4H (0.49) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10429856 0.86 ADRA2A (0.43) LTA4HCYP1A2CYP2C9CYP2C19HTT
Hydrochloric Acid SCHEMBL15412521 0.84 ADRA2A (0.42) LTA4HHTTBCHEL3MBTL1LMNA
SCHEMBL11687298 0.84 LTA4H (0.48) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9706129 0.84 ALDH1A3 (0.39) CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL11682289 0.81 BCHE (0.49) CYP1A2CYP2D6CYP2C9CYP2C19PPARG
SCHEMBL11675661 0.79 LTA4H (0.49) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17807116 0.78 LTA4H (0.61) LTA4HPPARGPPARAL3MBTL1CNR2
SCHEMBL5684114 0.77 LTA4H (0.65) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15571018 0.77 KDM4E (0.43) CYP1A2CYP2C9CYP2C19HTTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US disclosed
US-20040220281-A1 Treatment of hormone-refractory prostate cancer MANITOBA, UNIVERSITY OF (CA) 2004-11-04 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-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 LTA4H 2819/4885CYP1A2 1354/4885CYP2D6 2032/4885
US-20040220281-A1 Treatment of hormone-refractory prostate cancer KLK3, ACP3, AR LTA4H 3204/4885CYP1A2 1327/4885CYP2D6 426/4885

“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.