SCHEMBL3364875

SCHEMBL3364875

O=C(COCCCCCOCC(=O)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
HDAC4 P56524 10/20 0.53
HDAC1 Q13547 10/20 0.53
HDAC7 Q8WUI4 10/20 0.53
HDAC11 Q96DB2 10/20 0.53
HDAC8 Q9BY41 10/20 0.53
HDAC6 Q9UBN7 10/20 0.53
HDAC9 Q9UKV0 10/20 0.53
HDAC5 Q9UQL6 10/20 0.53
HDAC3 O15379 9/20 0.53
HDAC2 Q92769 9/20 0.53
HDAC10 Q969S8 9/20 0.53
CYP3A4 P08684 2/20 0.53

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
SCHEMBL8654103 0.90 ALDH1A1 (0.58) KDM4ECYP1A2ALDH1A1MAPTHPGD
SCHEMBL8712017 0.90 KDM4E (0.54) KDM4ECYP1A2ALDH1A1MAPTHPGD
SCHEMBL17183962 0.88 ALDH1A1 (0.60) KDM4ECYP1A2ALDH1A1MAPTHPGD
SCHEMBL18660223 0.88 MAPT (0.58) KDM4EALDH1A1MAPTHPGDALOX12
SCHEMBL9125307 0.87 ALDH1A1 (0.65) KDM4ECYP1A2ALDH1A1MAPTHPGD
SCHEMBL31666104 0.85 SOAT2 (0.66) KDM4ECYP1A2ALDH1A1MAPTHPGD
SCHEMBL6706649 0.84 KDM4E (0.49) KDM4ECYP1A2ALDH1A1MAPTHPGD
SCHEMBL27967069 0.84 ALDH1A1 (0.55) KDM4ECYP1A2ALDH1A1MAPTHPGD
SCHEMBL25701 0.84 ALDH1A1 (0.63) KDM4ECYP1A2ALDH1A1MAPTHPGD
SCHEMBL9125155 0.84 ALDH1A1 (0.55) KDM4ECYP1A2ALDH1A1MAPTHPGD

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
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO claimed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KDM4E 192/4885CYP1A2 588/4885ALDH1A1 2240/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KDM4E 861/4885CYP1A2 1154/4885ALDH1A1 785/4885

“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.