SCHEMBL3023153

SCHEMBL3023153

Cc1ccc(CC(C)(C)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PYCR1 P32322 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TNF P01375 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
HBB P68871 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
SCHEMBL16672904 0.83 PYCR1 (0.42) TP53TDP1PYCR1RAB9ANPC1
SCHEMBL18888245 0.80 TDP1 (0.39) TP53TDP1PYCR1RAB9ANPC1
SCHEMBL11962264 0.80 P2RX7 (0.36) KDM4ETAAR1SMN1; SMN2
SCHEMBL25990635 0.79 PYCR1 (0.40) TP53TDP1PYCR1RAB9ANPC1
SCHEMBL3023150 0.79 PYCR1 (0.40) TP53TDP1PYCR1RAB9ANPC1
SCHEMBL12828159 0.77 PYCR1 (0.41) TP53TDP1PYCR1RAB9ANPC1
SCHEMBL17429682 0.76 FFAR4 (0.36) TP53TDP1RAB9ANPC1KDM4E
SCHEMBL11962318 0.75 TP53 (0.42) TP53TDP1PYCR1RAB9ANPC1
SCHEMBL7412458 0.74 NPC1 (0.46) TP53RAB9ANPC1KDM4EALDH1A1
SCHEMBL13722854 0.74 TAAR1 (0.45) ALDH1A1KMT2ATAAR1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (5 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TP53 3463/4885TDP1 4207/4885PYCR1 75/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TP53 846/4885TDP1 4841/4885PYCR1 1106/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TP53 1366/4885TDP1 4820/4885PYCR1 736/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 TP53 86/4885TDP1 3760/4885PYCR1 260/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 TP53 2740/4885TDP1 3705/4885PYCR1 11/4885

“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.