SCHEMBL333245

SCHEMBL333245

COc1ccc(OC)c(-c2cc3c(OC)cc(OC)cc3n2CC(C)(C)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
HTR2C P28335 1/20 0.38
LMNA P02545 1/20 0.38
TNFRSF1A P19438 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
DYRK1A Q13627 1/20 0.36
TP53 P04637 1/20 0.36
PTGES O14684 1/20 0.36
POLB P06746 1/20 0.36
GRM2 Q14416 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL333985 0.84 SLC16A3 (0.40) TNFRSF1A
SCHEMBL6170009 0.65 EGLN1 (0.42)
SCHEMBL701444 0.65 GPR35 (0.46) ALDH1A1MAPTHPGDLMNATNFRSF1A
SCHEMBL28910050 0.64 PPARA (0.60) MAPTLMNAHSD17B10TP53CYP2C9
SCHEMBL5186287 0.64 PSEN1 (0.45) ALDH1A1MAPTHPGDHSD17B10DYRK1A
SCHEMBL6170913 0.64 KMO (0.48) ALDH1A1MAPTHPGDLMNAHSD17B10
SCHEMBL6225634 0.63 TNFRSF1A (0.43) ALDH1A1MAPTHPGDLMNATNFRSF1A
SCHEMBL29037530 0.62 HTR6 (0.45) ALDH1A1MAPTHPGDHSD17B10ABCG2
SCHEMBL7813546 0.61 HDAC6 (0.41)
SCHEMBL6344994 0.61 ALDH1A1 (0.50) MPOALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof UNIVERSIDAD DEL PAIS VASCO (ES) 2009-12-03 US claimed
US-8097656-B2 Nitrogenated trans-stilbene analogs, method for the obtention and medical applications thereof Dominion Pharmakine S.L (ES) 2012-01-17 US disclosed
US-20110060038-A1 NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF DOMINION PHARMAKINE S.L. (ES) 2011-03-10 US disclosed
US-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof UNIVERSIDAD DEL PAIS VASCO (ES) 2009-12-03 US disclosed
EP-1874723-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF Dominion Pharmakine S.L. (ES) 2008-01-09 EP disclosed
WO-2006108864-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF DOMINION PHARMAKINE S.L. (ES) 2006-10-19 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 (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-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof TNNI3, TNNT2, INMT MPO 255/4885ALDH1A1 250/4885MAPT 1864/4885
US-20110060038-A1 NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF TNNI3, TNNT2, NOS2 MPO 350/4885ALDH1A1 370/4885MAPT 2027/4885

“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.