SCHEMBL4176958

SCHEMBL4176958

COc1cc[c]c(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
CYP3A4 P08684 3/20 0.45
MAPK1 P28482 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
ALOX12 P18054 1/20 0.45
ERN1 O75460 2/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TSHR P16473 1/20 0.37
MAOB P27338 1/20 0.34

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
SCHEMBL5207598 0.80 MAPT (0.46) KDM4EMAPTCYP3A4MAPK1HSD17B10
SCHEMBL10336692 0.78 MAPT (0.45) KDM4EMAPTCYP3A4MAPK1HSD17B10
SCHEMBL1491049 0.77 CA2 (0.36) KDM4EMAPTCYP3A4HSD17B10TP53
SCHEMBL22833910 0.77 MAPT (0.43) KDM4EMAPTCYP3A4MAPK1HSD17B10
SCHEMBL5209906 0.77 TP53 (0.43) KDM4EMAPTCYP3A4MAPK1HSD17B10
SCHEMBL315821 0.76 ACHE (0.39) KDM4EMAPTCYP3A4MAPK1ALDH1A1
SCHEMBL10771504 0.74 TP53 (0.37) KDM4EMAPTCYP3A4MAPK1HSD17B10
SCHEMBL4438400 0.72
SCHEMBL2353186 0.72
SCHEMBL10447228 0.71 MAPT (0.38) KDM4EMAPTCYP3A4MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
US-5206360-A Bactericides BRISTOL-MYERS SQUIBB COMPANY (US) 1993-04-27 US disclosed
US-5169843-A Bactericides BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-08 US disclosed
EP-0484030-A2 Antibiotic C-3 cyclobutenedione substituted (1-carba)cephalosporin compounds, compositions, and methods of use thereof Bristol-Myers Squibb Company (US) 1992-05-06 EP disclosed
US-5106842-A Bactericides BRISTOL-MYERS SQUIBB CO. (US) 1992-04-21 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 (3 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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 KDM4E 2164/4885MAPT 582/4885CYP3A4 3606/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDM4E 1049/4885MAPT 793/4885CYP3A4 933/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDM4E 1049/4885MAPT 793/4885CYP3A4 933/4885

“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.