SCHEMBL4171658

SCHEMBL4171658

COc1[c][nH]c2cccc(C)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
MAPK1 P28482 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPK6 Q16659 1/20 0.32
ELANE P08246 1/20 0.32
KIF11 P52732 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL6162726 0.81 ABCG2 (0.42) MAPK1MAPTMEN1KMT2AKDM4E
SCHEMBL1850720 0.76 GPR84 (0.41) GPR84MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL7448786 0.74 CLK4 (0.35) ALDH1A1
SCHEMBL3381547 0.73 GPR84 (0.39) GPR84MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL2071022 0.71 ALDH1A1 (0.39) GPR84MAPK1MAPTMEN1KMT2A
SCHEMBL7111089 0.71 SMN1; SMN2 (0.42) MAPK1MAPTKDM4EALDH1A1GAA
SCHEMBL2072979 0.70 ABCG2 (0.42) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2202477 0.69 GPR84 (0.36) GPR84MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL7455246 0.69 METAP2 (0.36) MAPK1KDM4EALDH1A1GAA
SCHEMBL7107722 0.69 TUBB4A (0.36)

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US disclosed
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
EP-0151702-B1 ALPHA-HYDROXYKETONE ACETALS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1987-11-25 EP disclosed
EP-0048136-B1 PROCESS FOR PREPARING ALPHA-AROMATIC GROUP SUBSTITUTED ALKANOIC ACIDS OR ESTERS THEREOF SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1986-06-11 EP disclosed
US-4539420-A Optically active 1-aromatic-group-substituted-1-alkanones and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-09-03 US disclosed
EP-0151702-A2 Alpha-hydroxyketone acetals SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-08-21 EP disclosed
EP-0067698-A2 Optically active 1-aromatic-group-substituted-1-alkanones and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-12-22 EP disclosed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 EP 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 GPR84 1470/4885MAPK1 1181/4885MAP2K4 1050/4885

“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.