SCHEMBL3775339

SCHEMBL3775339

Cc1cc(CCO)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.63
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX5 P09917 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
BACE1 P56817 1/20 0.47
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
CA2 P00918 2/20 0.41
S100B P04271 1/20 0.41
ESR1 P03372 2/20 0.41
AR P10275 1/20 0.41
ESR2 Q92731 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL23093076 0.88 SKP2 (0.70) SKP2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL841783 0.87 SKP2 (0.73) SKP2ALDH1A1KDM4EMAPTTDP1
SCHEMBL31634603 0.87 SKP2 (0.73) SKP2ALDH1A1KDM4EMAPTTDP1
SCHEMBL17471733 0.86 SKP2 (0.68) SKP2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL3482834 0.85 SKP2 (0.70) SKP2ALDH1A1KDM4EMAPTTDP1
SCHEMBL18353675 0.83 ALDH1A1 (0.47) SKP2ALDH1A1KDM4EALOX5GAA
SCHEMBL30762210 0.83 ALDH1A1 (0.47) SKP2ALDH1A1KDM4EALOX5GAA
SCHEMBL1362307 0.83 SKP2 (0.57) SKP2ALDH1A1KDM4EGAAMAPT
SCHEMBL3514830 0.83 SKP2 (0.81) SKP2ALDH1A1KDM4EGAAMAPT
SCHEMBL6692249 0.82 SKP2 (0.53) SKP2ALDH1A1KDM4EMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
CN-113979893-B N-hydroxy formamidine derivative, preparation method and application 中国药科大学 2023-10-24 CN disclosed
CN-113979893-A N-hydroxyformamidine derivative, preparation method and application 中国药科大学 2022-01-28 CN disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-17 US disclosed
WO-2006050076-A1 PYRIMIDINYL SUBSTITUTED FUSED-PYRROLYL COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 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-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders TK1, MAP3K1, MAP3K2 SKP2 99/4885ALDH1A1 2075/4885KDM4E 1847/4885

“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.