SCHEMBL4967804

SCHEMBL4967804

Cc1ccc(CN(O)Cc2ccc(C)cc2C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.53
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNF P01375 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL11316837 0.80 PYCR1 (0.59) PYCR1TDP1SLC6A2SLC6A4KDM4E
SCHEMBL7342574 0.78 PYCR1 (0.53) PYCR1TP53TDP1SLC6A2SLC6A4
SCHEMBL14174917 0.77 PYCR1 (0.51) PYCR1TDP1SLC6A2SLC6A4KDM4E
SCHEMBL29031394 0.77 PYCR1 (0.56) PYCR1TP53TDP1SLC6A2SLC6A4
SCHEMBL25644507 0.75 PYCR1 (0.64) PYCR1TP53TDP1SLC6A2SLC6A4
SCHEMBL29518212 0.75 PYCR1 (0.50) PYCR1SLC6A2SLC6A4RAB9ANPC1
SCHEMBL95787 0.75 TP53 (0.48) PYCR1TP53TDP1RAB9ANPC1
SCHEMBL6547406 0.74 TAAR1 (0.48) PYCR1TP53TDP1RAB9ANPC1
SCHEMBL3299248 0.74 PYCR1 (0.47) PYCR1TP53TDP1RAB9ANPC1
SCHEMBL30919490 0.74 PYCR1 (0.45) PYCR1TP53TDP1SLC6A2SLC6A4

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-20080315155-A1 Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-12-25 US disclosed
US-20080262187-A1 Blends of Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-10-23 US disclosed
EP-1966122-A1 DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP disclosed
EP-1966265-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP disclosed
WO-2007079365-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR ALBEMARLE CORPORATION (US) 2007-07-12 WO disclosed
WO-2007079367-A1 DIAMINES HAVING REDUCED COLOR ALBEMARLE CORPORATION (US) 2007-07-12 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-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 PYCR1 2972/4885TP53 380/4885TDP1 483/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC PYCR1 1667/4885TP53 613/4885TDP1 486/4885

“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.